1-(1-tert-butylazetidin-3-yl)-N,N-dimethylmethanamine;3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-(1-tert-butyl-4-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine

C108H228N20 — CID 159608389

IUPAC1-(1-tert-butylazetidin-3-yl)-N,N-dimethylmethanamine;3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-(1-tert-butyl-4-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine
SMILESCC1CN(C(C)(C)C)CC1CN(C)C.CN(C)C1C2CN(C(C)(C)C)CC21.CN(C)C1CCCN(C(C)(C)C)C1.CN(C)CC1CN(C(C)(C)C)C1.CN(C)CCN(C)C(C)(C)C.CN1CC(CN(C)C(C)(C)C)C1.CN1CC2CCN(C(C)(C)C)C2C1.CN1CC2CN(C(C)(C)C)CC2C1.CN1CCC2CN(C(C)(C)C)CC21.CN1CCCC2CN(C(C)(C)C)CC21
InChIInChI=1S/C12H24N2.C12H26N2.4C11H22N2.C11H24N2.2C10H22N2.C9H22N2/c1-12(2,3)14-8-10-6-5-7-13(4)11(10)9-14;1-10-7-14(12(2,3)4)9-11(10)8-13(5)6;1-11(2,3)13-7-9-5-12(4)6-10(9)8-13;1-11(2,3)13-6-8-9(7-13)10(8)12(4)5;1-11(2,3)13-6-5-9-7-12(4)8-10(9)13;1-11(2,3)13-7-9-5-6-12(4)10(9)8-13;1-11(2,3)13-8-6-7-10(9-13)12(4)5;1-10(2,3)12(5)8-9-6-11(4)7-9;1-10(2,3)12-7-9(8-12)6-11(4)5;1-9(2,3)11(6)8-7-10(4)5/h10-11H,5-9H2,1-4H3;10-11H,7-9H2,1-6H3;9-10H,5-8H2,1-4H3;8-10H,6-7H2,1-5H3;2*9-10H,5-8H2,1-4H3;10H,6-9H2,1-5H3;2*9H,6-8H2,1-5H3;7-8H2,1-6H3
InChIKeyMMJDUVINJJVVOG-UHFFFAOYSA-N
MW1807.15 g/mol
LogP14.77
Rot. Bonds11

About 1-(1-tert-butylazetidin-3-yl)-N,N-dimethylmethanamine;3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-(1-tert-butyl-4-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine

1-(1-tert-butylazetidin-3-yl)-N,N-dimethylmethanamine;3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-(1-tert-butyl-4-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine (PubChem CID 159608389) has the molecular formula C108H228N20 and a molecular weight of 1807.15 g/mol. Its IUPAC name is 1-(1-tert-butylazetidin-3-yl)-N,N-dimethylmethanamine;3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-(1-tert-butyl-4-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(1-tert-butylazetidin-3-yl)-N,N-dimethylmethanamine;3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-(1-tert-butyl-4-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine
PubChem CID159608389
Molecular FormulaC108H228N20
Molecular Weight1807.15 g/mol
Exact Mass1805.85
IUPAC Name1-(1-tert-butylazetidin-3-yl)-N,N-dimethylmethanamine;3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-(1-tert-butyl-4-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine
SMILESCC1CN(C(C)(C)C)CC1CN(C)C.CN(C)C1C2CN(C(C)(C)C)CC21.CN(C)C1CCCN(C(C)(C)C)C1.CN(C)CC1CN(C(C)(C)C)C1.CN(C)CCN(C)C(C)(C)C.CN1CC(CN(C)C(C)(C)C)C1.CN1CC2CCN(C(C)(C)C)C2C1.CN1CC2CN(C(C)(C)C)CC2C1.CN1CCC2CN(C(C)(C)C)CC21.CN1CCCC2CN(C(C)(C)C)CC21
InChIInChI=1S/C12H24N2.C12H26N2.4C11H22N2.C11H24N2.2C10H22N2.C9H22N2/c1-12(2,3)14-8-10-6-5-7-13(4)11(10)9-14;1-10-7-14(12(2,3)4)9-11(10)8-13(5)6;1-11(2,3)13-7-9-5-12(4)6-10(9)8-13;1-11(2,3)13-6-8-9(7-13)10(8)12(4)5;1-11(2,3)13-6-5-9-7-12(4)8-10(9)13;1-11(2,3)13-7-9-5-6-12(4)10(9)8-13;1-11(2,3)13-8-6-7-10(9-13)12(4)5;1-10(2,3)12(5)8-9-6-11(4)7-9;1-10(2,3)12-7-9(8-12)6-11(4)5;1-9(2,3)11(6)8-7-10(4)5/h10-11H,5-9H2,1-4H3;10-11H,7-9H2,1-6H3;9-10H,5-8H2,1-4H3;8-10H,6-7H2,1-5H3;2*9-10H,5-8H2,1-4H3;10H,6-9H2,1-5H3;2*9H,6-8H2,1-5H3;7-8H2,1-6H3
InChIKeyMMJDUVINJJVVOG-UHFFFAOYSA-N
XLogP14.77
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms128
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001807.15
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1-(1-tert-butylazetidin-3-yl)-N,N-dimethylmethanamine;3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-(1-tert-butyl-4-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylazetidin-3-yl)-N,N-dimethylmethanamine;3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-(1-tert-butyl-4-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-(1-tert-butylazetidin-3-yl)-N,N-dimethylmethanamine;3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-(1-tert-butyl-4-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine (CID 159608389) is 1-(1-tert-butylazetidin-3-yl)-N,N-dimethylmethanamine;3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-(1-tert-butyl-4-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(1-tert-butylazetidin-3-yl)-N,N-dimethylmethanamine;3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-(1-tert-butyl-4-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(1-tert-butylazetidin-3-yl)-N,N-dimethylmethanamine;3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-(1-tert-butyl-4-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine is CC1CN(C(C)(C)C)CC1CN(C)C.CN(C)C1C2CN(C(C)(C)C)CC21.CN(C)C1CCCN(C(C)(C)C)C1.CN(C)CC1CN(C(C)(C)C)C1.CN(C)CCN(C)C(C)(C)C.CN1CC(CN(C)C(C)(C)C)C1.CN1CC2CCN(C(C)(C)C)C2C1.CN1CC2CN(C(C)(C)C)CC2C1.CN1CCC2CN(C(C)(C)C)CC21.CN1CCCC2CN(C(C)(C)C)CC21.
What is the InChIKey of 1-(1-tert-butylazetidin-3-yl)-N,N-dimethylmethanamine;3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-(1-tert-butyl-4-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine?
The InChIKey is MMJDUVINJJVVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C12H26N2.4C11H22N2.C11H24N2.2C10H22N2.C9H22N2/c1-12(2,3)14-8-10-6-5-7-13(4)11(10)9-14;1-10-7-14(12(2,3)4)9-11(10)8-13(5)6;1-11(2,3)13-7-9-5-12(4)6-10(9)8-13;1-11(2,3)13-6-8-9(7-13)10(8)12(4)5;1-11(2,3)13-6-5-9-7-12(4)8-10(9)13;1-11(2,3)13-7-9-5-6-12(4)10(9)8-13;1-11(2,3)13-8-6-7-10(9-13)12(4)5;1-10(2,3)12(5)8-9-6-11(4)7-9;1-10(2,3)12-7-9(8-12)6-11(4)5;1-9(2,3)11(6)8-7-10(4)5/h10-11H,5-9H2,1-4H3;10-11H,7-9H2,1-6H3;9-10H,5-8H2,1-4H3;8-10H,6-7H2,1-5H3;2*9-10H,5-8H2,1-4H3;10H,6-9H2,1-5H3;2*9H,6-8H2,1-5H3;7-8H2,1-6H3.
What are the key properties of 1-(1-tert-butylazetidin-3-yl)-N,N-dimethylmethanamine;3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-(1-tert-butyl-4-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine?
1-(1-tert-butylazetidin-3-yl)-N,N-dimethylmethanamine;3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-(1-tert-butyl-4-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine has a molecular weight of 1807.15 g/mol, XLogP of 14.77, 11 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylazetidin-3-yl)-N,N-dimethylmethanamine;3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;1-tert-butyl-N,N-dimethylpiperidin-3-amine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1-tert-butyl-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-(1-tert-butyl-4-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N,2-dimethyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 159608389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).