N-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide

C15H28N2O — CID 107176121

IUPACN-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1CCCCC1(C)C)C1CCNC1
InChIInChI=1S/C15H28N2O/c1-4-17(12-8-10-16-11-12)14(18)13-7-5-6-9-15(13,2)3/h12-13,16H,4-11H2,1-3H3
InChIKeyFAPBMMCLOKOBEW-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds3

About N-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide

N-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide (PubChem CID 107176121) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
PubChem CID107176121
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1CCCCC1(C)C)C1CCNC1
InChIInChI=1S/C15H28N2O/c1-4-17(12-8-10-16-11-12)14(18)13-7-5-6-9-15(13,2)3/h12-13,16H,4-11H2,1-3H3
InChIKeyFAPBMMCLOKOBEW-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide
CID 107180646
N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide
CID 107183873
N-cyclopropyl-N-(2-hydroxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180319
N-cyclopentyl-N-(2-hydroxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180339
N-ethyl-2-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 107176120
ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate
CID 60805526
2-cyclohexyl-N-ethyl-N-pyrrolidin-3-ylacetamide
CID 60807538
N-cyclopentyl-N-ethylpyrrolidine-3-carboxamide;hydrochloride
CID 119722120
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
N-ethyl-1,1-dioxo-N-pyrrolidin-3-ylthiolane-3-carboxamide
CID 63299474
(E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide
CID 63299656
N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide
CID 107176802

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide (CID 107176121) is N-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide is CCN(C(=O)C1CCCCC1(C)C)C1CCNC1.
What is the InChIKey of N-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide?
The InChIKey is FAPBMMCLOKOBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-17(12-8-10-16-11-12)14(18)13-7-5-6-9-15(13,2)3/h12-13,16H,4-11H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide?
N-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 107176121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).