N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide

C16H32N2O — CID 82986917

IUPACN-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCC1CCCCC1CN
InChIInChI=1S/C16H32N2O/c1-3-7-13(8-4-2)16(19)18-12-15-10-6-5-9-14(15)11-17/h13-15H,3-12,17H2,1-2H3,(H,18,19)
InChIKeyQFXNWAHYZBTMQV-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.08
Rot. Bonds8

About N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide

N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide (PubChem CID 82986917) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide
PubChem CID82986917
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCC1CCCCC1CN
InChIInChI=1S/C16H32N2O/c1-3-7-13(8-4-2)16(19)18-12-15-10-6-5-9-14(15)11-17/h13-15H,3-12,17H2,1-2H3,(H,18,19)
InChIKeyQFXNWAHYZBTMQV-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide
CID 114307011
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
CID 107941610
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide
CID 114317113
N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide
CID 114312233
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 106024201
2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide
CID 106135811
N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 114877154
3-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-dimethylurea
CID 79153657
N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide
CID 82987576
N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide
CID 79163504
2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide
CID 107296139
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79358922

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide?
The IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide (CID 82986917) is N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide.
What is the SMILES notation for N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide?
The canonical SMILES for N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCC1CCCCC1CN.
What is the InChIKey of N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide?
The InChIKey is QFXNWAHYZBTMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-7-13(8-4-2)16(19)18-12-15-10-6-5-9-14(15)11-17/h13-15H,3-12,17H2,1-2H3,(H,18,19).
What are the key properties of N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide?
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide has a molecular weight of 268.44 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide is sourced from PubChem (CID 82986917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).