2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride

C15H29ClN2O — CID 119450514

IUPAC2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCCC(CC1CCCCC1)C(=O)NC1CCNC1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-2-13(10-12-6-4-3-5-7-12)15(18)17-14-8-9-16-11-14;/h12-14,16H,2-11H2,1H3,(H,17,18);1H
InChIKeyCGJULVCTDCJQGG-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.88
Rot. Bonds5

About 2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride

2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride (PubChem CID 119450514) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
PubChem CID119450514
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCCC(CC1CCCCC1)C(=O)NC1CCNC1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-2-13(10-12-6-4-3-5-7-12)15(18)17-14-8-9-16-11-14;/h12-14,16H,2-11H2,1H3,(H,17,18);1H
InChIKeyCGJULVCTDCJQGG-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylmethyl)-N-pyrrolidin-3-ylbutanamide
CID 119449890
2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide
CID 120553439
2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide
CID 119452441
2-(cyclopentylmethyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555362
2-(cyclopentylmethyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119460240
2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)pentanamide;hydrochloride
CID 120556998
2-(cyclopentylmethyl)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120573985
2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500875
N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride
CID 120505210
2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119510206
(2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid
CID 119244683
4-cyclopentyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119454408

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The IUPAC name of 2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride (CID 119450514) is 2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for 2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for 2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride is CCC(CC1CCCCC1)C(=O)NC1CCNC1.Cl.
What is the InChIKey of 2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The InChIKey is CGJULVCTDCJQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-2-13(10-12-6-4-3-5-7-12)15(18)17-14-8-9-16-11-14;/h12-14,16H,2-11H2,1H3,(H,17,18);1H.
What are the key properties of 2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119450514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).