N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride

C14H27ClN2O — CID 119812040

IUPACN-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)C1CCC(NC(=O)C2CCNC2)CC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-10(2)11-3-5-13(6-4-11)16-14(17)12-7-8-15-9-12;/h10-13,15H,3-9H2,1-2H3,(H,16,17);1H
InChIKeyRGLSPACUCQZLOR-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.35
Rot. Bonds3

About N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride

N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119812040) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119812040
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC NameN-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)C1CCC(NC(=O)C2CCNC2)CC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-10(2)11-3-5-13(6-4-11)16-14(17)12-7-8-15-9-12;/h10-13,15H,3-9H2,1-2H3,(H,16,17);1H
InChIKeyRGLSPACUCQZLOR-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride
CID 119339836
N-(3-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119775883
(2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride
CID 120637437
N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 55149500
(3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide
CID 164655377
(3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 171930235
ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
CID 119738217
N-(3,4-dimethylcyclohexyl)pyrrolidine-3-carboxamide
CID 64741940
N-(thiolan-3-yl)pyrrolidine-3-carboxamide
CID 103811764
N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide
CID 119809069
N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 63005391
N-[(3R)-pyrrolidin-3-yl]piperidine-4-carboxamide
CID 91470745

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119812040) is N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride is CC(C)C1CCC(NC(=O)C2CCNC2)CC1.Cl.
What is the InChIKey of N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is RGLSPACUCQZLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-10(2)11-3-5-13(6-4-11)16-14(17)12-7-8-15-9-12;/h10-13,15H,3-9H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119812040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).