3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;methane

C34H72N6 — CID 157240272

IUPAC3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;methane
SMILESC.CN(C)C1C2CN(C(C)(C)C)CC21.CN(C)CC1CCCN1C(C)(C)C.CN1CCC2CN(C(C)(C)C)CC21
InChIInChI=1S/2C11H22N2.C11H24N2.CH4/c1-11(2,3)13-6-8-9(7-13)10(8)12(4)5;1-11(2,3)13-7-9-5-6-12(4)10(9)8-13;1-11(2,3)13-8-6-7-10(13)9-12(4)5;/h8-10H,6-7H2,1-5H3;9-10H,5-8H2,1-4H3;10H,6-9H2,1-5H3;1H4
InChIKeyAVCYMRSVPMWZAC-UHFFFAOYSA-N
MW564.99 g/mol
LogP5.14
Rot. Bonds3

About 3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;methane

3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;methane (PubChem CID 157240272) has the molecular formula C34H72N6 and a molecular weight of 564.99 g/mol. Its IUPAC name is 3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;methane.

Molecular Properties

Compound Name3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;methane
PubChem CID157240272
Molecular FormulaC34H72N6
Molecular Weight564.99 g/mol
Exact Mass564.58
IUPAC Name3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;methane
SMILESC.CN(C)C1C2CN(C(C)(C)C)CC21.CN(C)CC1CCCN1C(C)(C)C.CN1CCC2CN(C(C)(C)C)CC21
InChIInChI=1S/2C11H22N2.C11H24N2.CH4/c1-11(2,3)13-6-8-9(7-13)10(8)12(4)5;1-11(2,3)13-7-9-5-6-12(4)10(9)8-13;1-11(2,3)13-8-6-7-10(13)9-12(4)5;/h8-10H,6-7H2,1-5H3;9-10H,5-8H2,1-4H3;10H,6-9H2,1-5H3;1H4
InChIKeyAVCYMRSVPMWZAC-UHFFFAOYSA-N
XLogP5.14
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.99
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;methane?
The IUPAC name of 3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;methane (CID 157240272) is 3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;methane.
What is the SMILES notation for 3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;methane?
The canonical SMILES for 3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;methane is C.CN(C)C1C2CN(C(C)(C)C)CC21.CN(C)CC1CCCN1C(C)(C)C.CN1CCC2CN(C(C)(C)C)CC21.
What is the InChIKey of 3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;methane?
The InChIKey is AVCYMRSVPMWZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22N2.C11H24N2.CH4/c1-11(2,3)13-6-8-9(7-13)10(8)12(4)5;1-11(2,3)13-7-9-5-6-12(4)10(9)8-13;1-11(2,3)13-8-6-7-10(13)9-12(4)5;/h8-10H,6-7H2,1-5H3;9-10H,5-8H2,1-4H3;10H,6-9H2,1-5H3;1H4.
What are the key properties of 3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;methane?
3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;methane has a molecular weight of 564.99 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;1-(1-tert-butylpyrrolidin-2-yl)-N,N-dimethylmethanamine;methane is sourced from PubChem (CID 157240272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).