3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide

C16H31N3O — CID 79636030

IUPAC3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(N2CCCC2CC)C1
InChIInChI=1S/C16H31N3O/c1-3-10-18-16(15(17)20)9-5-7-14(12-16)19-11-6-8-13(19)4-2/h13-14,18H,3-12H2,1-2H3,(H2,17,20)
InChIKeyJSJZLRCQKHPLSU-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.03
Rot. Bonds6

About 3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide

3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide (PubChem CID 79636030) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
PubChem CID79636030
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(N2CCCC2CC)C1
InChIInChI=1S/C16H31N3O/c1-3-10-18-16(15(17)20)9-5-7-14(12-16)19-11-6-8-13(19)4-2/h13-14,18H,3-12H2,1-2H3,(H2,17,20)
InChIKeyJSJZLRCQKHPLSU-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626937
3-(2-methylazepan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79633722
3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626289
3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79641656
ethyl 3-(2-ethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636182
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide
CID 79628730
methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636980
3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79628200
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637454
methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79649918
3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79626631

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide (CID 79636030) is 3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide is CCCNC1(C(N)=O)CCCC(N2CCCC2CC)C1.
What is the InChIKey of 3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
The InChIKey is JSJZLRCQKHPLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-10-18-16(15(17)20)9-5-7-14(12-16)19-11-6-8-13(19)4-2/h13-14,18H,3-12H2,1-2H3,(H2,17,20).
What are the key properties of 3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79636030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).