3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide

C17H33N3O — CID 79628661

IUPAC3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(N2CCCCCCC2)C1
InChIInChI=1S/C17H33N3O/c1-2-11-19-17(16(18)21)10-8-9-15(14-17)20-12-6-4-3-5-7-13-20/h15,19H,2-14H2,1H3,(H2,18,21)
InChIKeyZYXJMRCCXXJVLO-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.42
Rot. Bonds5

About 3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide

3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide (PubChem CID 79628661) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
PubChem CID79628661
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(N2CCCCCCC2)C1
InChIInChI=1S/C17H33N3O/c1-2-11-19-17(16(18)21)10-8-9-15(14-17)20-12-6-4-3-5-7-13-20/h15,19H,2-14H2,1H3,(H2,18,21)
InChIKeyZYXJMRCCXXJVLO-UHFFFAOYSA-N
XLogP2.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626289
ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 79628675
3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79641656
3-(2-methylazepan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79633722
3-(2-ethylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626937
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide
CID 79628730
3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79628200
3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636030
1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide
CID 79636357
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637454
3-(1-oxo-1,4-thiazinan-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79642295
methyl 3-(azocan-1-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79628664

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide (CID 79628661) is 3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide is CCCNC1(C(N)=O)CCCC(N2CCCCCCC2)C1.
What is the InChIKey of 3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
The InChIKey is ZYXJMRCCXXJVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-2-11-19-17(16(18)21)10-8-9-15(14-17)20-12-6-4-3-5-7-13-20/h15,19H,2-14H2,1H3,(H2,18,21).
What are the key properties of 3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79628661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).