2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide

C15H30N2O — CID 119724279

IUPAC2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCCCC1CCCCC1
InChIInChI=1S/C15H30N2O/c1-3-12(2)14(16)15(18)17-11-7-10-13-8-5-4-6-9-13/h12-14H,3-11,16H2,1-2H3,(H,17,18)
InChIKeyLTEPBFHQTQUZDT-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.84
Rot. Bonds7

About 2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide

2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide (PubChem CID 119724279) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide
PubChem CID119724279
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCCCC1CCCCC1
InChIInChI=1S/C15H30N2O/c1-3-12(2)14(16)15(18)17-11-7-10-13-8-5-4-6-9-13/h12-14H,3-11,16H2,1-2H3,(H,17,18)
InChIKeyLTEPBFHQTQUZDT-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(3-cyclopentylpropyl)butanamide
CID 103795274
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide
CID 79012516
2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide
CID 43515321
(2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide
CID 114137096
(2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride
CID 119724237
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
4-amino-N-(3-cyclohexylpropyl)pentanamide;hydrochloride
CID 120560365
(2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid
CID 122100235
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide
CID 106114395

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide (CID 119724279) is 2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide is CCC(C)C(N)C(=O)NCCCC1CCCCC1.
What is the InChIKey of 2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide?
The InChIKey is LTEPBFHQTQUZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-12(2)14(16)15(18)17-11-7-10-13-8-5-4-6-9-13/h12-14H,3-11,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide?
2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide has a molecular weight of 254.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide is sourced from PubChem (CID 119724279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).