1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine

C16H33N3 — CID 81474785

IUPAC1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCC(C)(CNC1CC1)CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H33N3/c1-6-16(3,11-17-14-7-8-14)12-19-9-13(2)15(10-19)18(4)5/h13-15,17H,6-12H2,1-5H3
InChIKeyQGERSTBAMVDLRC-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds7

About 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81474785) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81474785
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCC(C)(CNC1CC1)CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H33N3/c1-6-16(3,11-17-14-7-8-14)12-19-9-13(2)15(10-19)18(4)5/h13-15,17H,6-12H2,1-5H3
InChIKeyQGERSTBAMVDLRC-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474787
N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine
CID 114539578
N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine
CID 62262258
1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol
CID 62943597
N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine
CID 62262514
N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 65281916
N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine
CID 62272802
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide
CID 81465082
ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate
CID 81474841
N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63864351
N-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 62259162
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid
CID 81474873

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81474785) is 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine is CCC(C)(CNC1CC1)CN1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is QGERSTBAMVDLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-6-16(3,11-17-14-7-8-14)12-19-9-13(2)15(10-19)18(4)5/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 267.46 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81474785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).