1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine

C49H104N8 — CID 159756679

IUPAC1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine
SMILESCC(NC1CC1)C1CCN(C(C)(C)C)C1.CCNC(C)(C)C1CCN(C(C)(C)C)C1.CN(C)C(C)(C)C1CCN(C(C)(C)C)C1.CN(C)C1CCN(C(C)(C)C)C1
InChIInChI=1S/C13H26N2.2C13H28N2.C10H22N2/c1-10(14-12-5-6-12)11-7-8-15(9-11)13(2,3)4;1-12(2,3)15-9-8-11(10-15)13(4,5)14(6)7;1-7-14-13(5,6)11-8-9-15(10-11)12(2,3)4;1-10(2,3)12-7-6-9(8-12)11(4)5/h10-12,14H,5-9H2,1-4H3;11H,8-10H2,1-7H3;11,14H,7-10H2,1-6H3;9H,6-8H2,1-5H3
InChIKeyNEIWJPKGFUFKPY-UHFFFAOYSA-N
MW805.43 g/mol
LogP8.61
Rot. Bonds9

About 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine

1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine (PubChem CID 159756679) has the molecular formula C49H104N8 and a molecular weight of 805.43 g/mol. Its IUPAC name is 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine
PubChem CID159756679
Molecular FormulaC49H104N8
Molecular Weight805.43 g/mol
Exact Mass804.84
IUPAC Name1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine
SMILESCC(NC1CC1)C1CCN(C(C)(C)C)C1.CCNC(C)(C)C1CCN(C(C)(C)C)C1.CN(C)C(C)(C)C1CCN(C(C)(C)C)C1.CN(C)C1CCN(C(C)(C)C)C1
InChIInChI=1S/C13H26N2.2C13H28N2.C10H22N2/c1-10(14-12-5-6-12)11-7-8-15(9-11)13(2,3)4;1-12(2,3)15-9-8-11(10-15)13(4,5)14(6)7;1-7-14-13(5,6)11-8-9-15(10-11)12(2,3)4;1-10(2,3)12-7-6-9(8-12)11(4)5/h10-12,14H,5-9H2,1-4H3;11H,8-10H2,1-7H3;11,14H,7-10H2,1-6H3;9H,6-8H2,1-5H3
InChIKeyNEIWJPKGFUFKPY-UHFFFAOYSA-N
XLogP8.61
TPSA43.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.43
LogP ≤ 58.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine with MolForge

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Related Compounds

2-(1-Methylpyrrolidin-2-yl)-3-(1-methylpyrrolidin-3-yl)-2-pyrrolidin-3-ylpyrrolidine
CID 90879397
3-(1,7-Diazaspiro[4.4]nonan-7-ylmethyl)-7-methyl-1,7-diazaspiro[4.4]nonane
CID 146188671
N-[2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropan-1-amine
CID 155370847
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-2-[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]ethanamine
CID 155400336
1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-3-ethylpyrrolidine;1-tert-butyl-4-methylpyrrolidine-3-carbonitrile;N-[(1-tert-butyl-4-methylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)cyclopropan-1-amine;1-(1-tert-butylpyrrolidin-3-yl)ethanamine;(1-tert-butylpyrrolidin-3-yl)methanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylethanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-2-amine;2-(1-tert-butylpyrrolidin-3-yl)propan-2-amine
CID 158522925
N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopentanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-1-amine
CID 159057357
N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine
CID 159161176
5-tert-butyl-N-ethyl-5-azaspiro[2.4]heptan-7-amine;4-tert-butyl-7-methyl-4-azaspiro[2.4]heptane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane
CID 159535028
N-[(1-tert-butyl-4-methylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)cyclopropan-1-amine;1-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylethanamine;1-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylmethanamine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;1-(1-tert-butylpyrrolidin-3-yl)ethanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-ethylethanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine;(1-tert-butylpyrrolidin-3-yl)methanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylethanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-2-amine;2-(1-tert-butylpyrrolidin-3-yl)propan-2-amine
CID 159922543
N-[(1-tert-butyl-4-methylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)cyclopropan-1-amine;1-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylethanamine;1-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylmethanamine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;1-(1-tert-butylpyrrolidin-3-yl)ethanamine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-ethylethanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine;(1-tert-butylpyrrolidin-3-yl)methanamine;N-[(1-tert-butylpyrrolidin-3-yl)methyl]cyclopropanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylethanamine;1-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-methylpropan-2-amine;2-(1-tert-butylpyrrolidin-3-yl)propan-2-amine;methane
CID 160240519
2-(2,4-dimethylpyrrolidin-1-yl)-N,N-dimethylethanamine;bis(2-(2,4-dimethylpyrrolidin-1-yl)-N-methylethanamine);1,2,4-trimethylpyrrolidine
CID 161771573
N,N-dimethyl-1-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine;N,N-dimethyl-1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine;N,N-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;N',N'-dimethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine;N',N'-dimethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine;3-ethyl-3-methyl-1-propan-2-ylpyrrolidine;N-methyl-1-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine;(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methanamine;2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine;(1-propan-2-ylpyrrolidin-3-yl)methanamine;bis(N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine);N'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine;N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 161782792

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine?
The IUPAC name of 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine (CID 159756679) is 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine is CC(NC1CC1)C1CCN(C(C)(C)C)C1.CCNC(C)(C)C1CCN(C(C)(C)C)C1.CN(C)C(C)(C)C1CCN(C(C)(C)C)C1.CN(C)C1CCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine?
The InChIKey is NEIWJPKGFUFKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.2C13H28N2.C10H22N2/c1-10(14-12-5-6-12)11-7-8-15(9-11)13(2,3)4;1-12(2,3)15-9-8-11(10-15)13(4,5)14(6)7;1-7-14-13(5,6)11-8-9-15(10-11)12(2,3)4;1-10(2,3)12-7-6-9(8-12)11(4)5/h10-12,14H,5-9H2,1-4H3;11H,8-10H2,1-7H3;11,14H,7-10H2,1-6H3;9H,6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine?
1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine has a molecular weight of 805.43 g/mol, XLogP of 8.61, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;2-(1-tert-butylpyrrolidin-3-yl)-N,N-dimethylpropan-2-amine;N-[1-(1-tert-butylpyrrolidin-3-yl)ethyl]cyclopropanamine;2-(1-tert-butylpyrrolidin-3-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 159756679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).