N-(3-aminopropyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide;hydrochloride

C15H28ClN3O2 — CID 119406822

IUPACN-(3-aminopropyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NCCCNC(=O)C1CCCCC1C(=O)N1CCCC1
InChIInChI=1S/C15H27N3O2.ClH/c16-8-5-9-17-14(19)12-6-1-2-7-13(12)15(20)18-10-3-4-11-18;/h12-13H,1-11,16H2,(H,17,19);1H
InChIKeyNZYIOASQJHULOL-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.30
Rot. Bonds5

About N-(3-aminopropyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide;hydrochloride

N-(3-aminopropyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119406822) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119406822
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC NameN-(3-aminopropyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NCCCNC(=O)C1CCCCC1C(=O)N1CCCC1
InChIInChI=1S/C15H27N3O2.ClH/c16-8-5-9-17-14(19)12-6-1-2-7-13(12)15(20)18-10-3-4-11-18;/h12-13H,1-11,16H2,(H,17,19);1H
InChIKeyNZYIOASQJHULOL-UHFFFAOYSA-N
XLogP1.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-(4-aminobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 93367078
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
trans-(1S,2S)-N-[2-(2-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95271735
N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805
cis-(1S,2R)-N-[2-(3-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95298659
2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43579840
cis-(1S,2R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 136664918
N-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119406281
N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide
CID 24711673
N-(3-aminopropyl)thiane-4-carboxamide;hydrochloride
CID 119408489
2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 64823304
[(1R,2S)-2-(aminomethyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 131010813

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide;hydrochloride (CID 119406822) is N-(3-aminopropyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NCCCNC(=O)C1CCCCC1C(=O)N1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is NZYIOASQJHULOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c16-8-5-9-17-14(19)12-6-1-2-7-13(12)15(20)18-10-3-4-11-18;/h12-13H,1-11,16H2,(H,17,19);1H.
What are the key properties of N-(3-aminopropyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide;hydrochloride?
N-(3-aminopropyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119406822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).