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

C14H27ClN2O — CID 119319042

IUPACN-(3-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)C1CCCC(NC(=O)C2CCCN2)C1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-10(2)11-5-3-6-12(9-11)16-14(17)13-7-4-8-15-13;/h10-13,15H,3-9H2,1-2H3,(H,16,17);1H
InChIKeyGVQQPCNBDDZRSA-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.49
Rot. Bonds3

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

N-(3-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119319042) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is N-(3-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119319042
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC NameN-(3-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)C1CCCC(NC(=O)C2CCCN2)C1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-10(2)11-5-3-6-12(9-11)16-14(17)13-7-4-8-15-13;/h10-13,15H,3-9H2,1-2H3,(H,16,17);1H
InChIKeyGVQQPCNBDDZRSA-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxycyclohexyl)pyrrolidine-2-carboxamide
CID 43696094
N-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide
CID 119889097
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
(2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide
CID 103797414
N-(3-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119775883
(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 64733303
(2R)-N-(2-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide
CID 103796390
(2S)-N-cyclopent-3-en-1-ylpyrrolidine-2-carboxamide
CID 104863890
N-(3-methylsulfanylcyclohexyl)piperidine-2-carboxamide
CID 103797395
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
N-cyclopentylazepane-2-carboxamide
CID 64564743
N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119319042) is N-(3-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide;hydrochloride is CC(C)C1CCCC(NC(=O)C2CCCN2)C1.Cl.
What is the InChIKey of N-(3-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is GVQQPCNBDDZRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-10(2)11-5-3-6-12(9-11)16-14(17)13-7-4-8-15-13;/h10-13,15H,3-9H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(3-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(3-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119319042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).