4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide

C16H31N3O — CID 62992457

IUPAC4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
SMILESCC(CNC(=O)C1CCC(CN)CC1)CN1CCCC1
InChIInChI=1S/C16H31N3O/c1-13(12-19-8-2-3-9-19)11-18-16(20)15-6-4-14(10-17)5-7-15/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyVQUHQFPAJWJMOM-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.60
Rot. Bonds6

About 4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide (PubChem CID 62992457) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
PubChem CID62992457
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
SMILESCC(CNC(=O)C1CCC(CN)CC1)CN1CCCC1
InChIInChI=1S/C16H31N3O/c1-13(12-19-8-2-3-9-19)11-18-16(20)15-6-4-14(10-17)5-7-15/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyVQUHQFPAJWJMOM-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992278
3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992458
4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide
CID 79519601
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 63005234
1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 128945509
2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 65456059
3-amino-N-(2-methyl-3-morpholin-4-ylpropyl)cyclopentane-1-carboxamide
CID 119869000
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 54906567
(2S)-N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 61165570
(3R)-1-ethylsulfonyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide
CID 95875422

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide (CID 62992457) is 4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide is CC(CNC(=O)C1CCC(CN)CC1)CN1CCCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
The InChIKey is VQUHQFPAJWJMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(12-19-8-2-3-9-19)11-18-16(20)15-6-4-14(10-17)5-7-15/h13-15H,2-12,17H2,1H3,(H,18,20).
What are the key properties of 4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62992457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).