2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide

C18H28N2O — CID 65225560

IUPAC2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide
SMILESCCCC(CN)C(=O)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-2-6-16(13-19)18(21)20-17-11-9-15(10-12-17)14-7-4-3-5-8-14/h3-5,7-8,15-17H,2,6,9-13,19H2,1H3,(H,20,21)
InChIKeyTYZZQYWOIOFZBX-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.20
Rot. Bonds6

About 2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide

2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide (PubChem CID 65225560) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide
PubChem CID65225560
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide
SMILESCCCC(CN)C(=O)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-2-6-16(13-19)18(21)20-17-11-9-15(10-12-17)14-7-4-3-5-8-14/h3-5,7-8,15-17H,2,6,9-13,19H2,1H3,(H,20,21)
InChIKeyTYZZQYWOIOFZBX-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one
CID 65229548
2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 65225132
4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride
CID 120588455
2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide
CID 79796546
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391
2-(aminomethyl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 65224886
4-amino-N-(4-phenylcyclohexyl)butanamide
CID 43699336
3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide
CID 64683408
4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid
CID 82985549
2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid
CID 65228027
3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
CID 119949671
1-(aminomethyl)-N-(4-phenylcyclohexyl)cyclopentane-1-carboxamide
CID 119716208

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide (CID 65225560) is 2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide is CCCC(CN)C(=O)NC1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide?
The InChIKey is TYZZQYWOIOFZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-6-16(13-19)18(21)20-17-11-9-15(10-12-17)14-7-4-3-5-8-14/h3-5,7-8,15-17H,2,6,9-13,19H2,1H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide?
2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide has a molecular weight of 288.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide is sourced from PubChem (CID 65225560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).