2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride

C15H29ClN2O — CID 119510206

IUPAC2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
SMILESCCC(CC1CCCC1)C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-2-13(10-12-6-3-4-7-12)15(18)17-11-14-8-5-9-16-14;/h12-14,16H,2-11H2,1H3,(H,17,18);1H
InChIKeyRTHYPWDQJTYCFE-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.88
Rot. Bonds6

About 2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride

2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride (PubChem CID 119510206) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
PubChem CID119510206
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
SMILESCCC(CC1CCCC1)C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-2-13(10-12-6-3-4-7-12)15(18)17-11-14-8-5-9-16-14;/h12-14,16H,2-11H2,1H3,(H,17,18);1H
InChIKeyRTHYPWDQJTYCFE-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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-2-ylmethyl)butanamide
CID 119510207
2-(cyclopentylmethyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119460240
(2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
CID 143330187
2-(cyclopentylmethyl)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120573985
2-(cyclopentylmethyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555362
2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104972087
(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 130719126
(2R)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 126992577
(2S)-2-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
CID 130985831
N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride
CID 119547626
2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500875
3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119511693

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
The IUPAC name of 2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride (CID 119510206) is 2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride.
What is the SMILES notation for 2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
The canonical SMILES for 2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride is CCC(CC1CCCC1)C(=O)NCC1CCCN1.Cl.
What is the InChIKey of 2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
The InChIKey is RTHYPWDQJTYCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-2-13(10-12-6-3-4-7-12)15(18)17-11-14-8-5-9-16-14;/h12-14,16H,2-11H2,1H3,(H,17,18);1H.
What are the key properties of 2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119510206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).