2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride

C14H29ClN2O — CID 119500875

IUPAC2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
SMILESCCC(CC1CCCCC1)C(=O)NCCNC.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-3-13(14(17)16-10-9-15-2)11-12-7-5-4-6-8-12;/h12-13,15H,3-11H2,1-2H3,(H,16,17);1H
InChIKeyGALOFOLBBIWMIO-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.74
Rot. Bonds7

About 2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride

2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride (PubChem CID 119500875) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
PubChem CID119500875
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
SMILESCCC(CC1CCCCC1)C(=O)NCCNC.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-3-13(14(17)16-10-9-15-2)11-12-7-5-4-6-8-12;/h12-13,15H,3-11H2,1-2H3,(H,16,17);1H
InChIKeyGALOFOLBBIWMIO-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide
CID 119495852
N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride
CID 119996125
(2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid
CID 119244683
2-(cyclopentylmethyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555362
N-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide
CID 115188971
2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid
CID 119225381
N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride
CID 120505210
2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119510206
N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride
CID 119547626
2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119450514
4-[[2-(cyclohexylmethyl)butanoylamino]methyl]oxane-4-carboxylic acid
CID 120542838
2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119510207

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride?
The IUPAC name of 2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride (CID 119500875) is 2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride?
The canonical SMILES for 2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride is CCC(CC1CCCCC1)C(=O)NCCNC.Cl.
What is the InChIKey of 2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride?
The InChIKey is GALOFOLBBIWMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-3-13(14(17)16-10-9-15-2)11-12-7-5-4-6-8-12;/h12-13,15H,3-11H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride?
2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119500875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).