4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide

C16H31N3O — CID 62806250

IUPAC4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCC(C)N1CCC(CNC(=O)C2CCC(CN)CC2)C1
InChIInChI=1S/C16H31N3O/c1-12(2)19-8-7-14(11-19)10-18-16(20)15-5-3-13(9-17)4-6-15/h12-15H,3-11,17H2,1-2H3,(H,18,20)
InChIKeyKGQNGFVIRBUMJB-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.60
Rot. Bonds5

About 4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 62806250) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID62806250
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCC(C)N1CCC(CNC(=O)C2CCC(CN)CC2)C1
InChIInChI=1S/C16H31N3O/c1-12(2)19-8-7-14(11-19)10-18-16(20)15-5-3-13(9-17)4-6-15/h12-15H,3-11,17H2,1-2H3,(H,18,20)
InChIKeyKGQNGFVIRBUMJB-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 119866673
2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
CID 106739669
4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588258
2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 65456243
4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide
CID 79519601
(2R)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 103814104
1-(aminomethyl)-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588146
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide
CID 107027490
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61208333
4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992457

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide (CID 62806250) is 4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide is CC(C)N1CCC(CNC(=O)C2CCC(CN)CC2)C1.
What is the InChIKey of 4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is KGQNGFVIRBUMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(2)19-8-7-14(11-19)10-18-16(20)15-5-3-13(9-17)4-6-15/h12-15H,3-11,17H2,1-2H3,(H,18,20).
What are the key properties of 4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 62806250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).