N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride

C14H27ClN2O — CID 119300473

IUPACN-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCC1CCC(CNC(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-2-11-5-7-12(8-6-11)10-16-14(17)13-4-3-9-15-13;/h11-13,15H,2-10H2,1H3,(H,16,17);1H
InChIKeyKHYIKXUUJVNFTK-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.49
Rot. Bonds4

About N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119300473) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119300473
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC NameN-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCC1CCC(CNC(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-2-11-5-7-12(8-6-11)10-16-14(17)13-4-3-9-15-13;/h11-13,15H,2-10H2,1H3,(H,16,17);1H
InChIKeyKHYIKXUUJVNFTK-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

(2R)-N-(cyclopropylmethyl)azetidine-2-carboxamide;hydrochloride
CID 130670141
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
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(2R)-N-[(1-ethylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide
CID 103814111
(2S)-N-[(3-methylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 107413261
(2R)-N-[(4-hydroxycyclohexyl)methyl]piperidine-2-carboxamide
CID 106135357
(2R)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796004
(2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796007
N-(cyclobutylmethyl)azepane-2-carboxamide
CID 64564563
(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119866896
N-(4-ethylcyclohexyl)piperidine-2-carboxamide;hydrochloride
CID 119285364
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 103814109
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119300473) is N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride is CCC1CCC(CNC(=O)C2CCCN2)CC1.Cl.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is KHYIKXUUJVNFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-2-11-5-7-12(8-6-11)10-16-14(17)13-4-3-9-15-13;/h11-13,15H,2-10H2,1H3,(H,16,17);1H.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119300473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).