3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide

C17H33N3O — CID 79626971

IUPAC3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCCN(C1CC1)C1CCCC(NCCC)(C(N)=O)C1
InChIInChI=1S/C17H33N3O/c1-3-5-12-20(14-8-9-14)15-7-6-10-17(13-15,16(18)21)19-11-4-2/h14-15,19H,3-13H2,1-2H3,(H2,18,21)
InChIKeyDPMOUCGONORSEX-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.42
Rot. Bonds9

About 3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide

3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide (PubChem CID 79626971) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
PubChem CID79626971
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCCN(C1CC1)C1CCCC(NCCC)(C(N)=O)C1
InChIInChI=1S/C17H33N3O/c1-3-5-12-20(14-8-9-14)15-7-6-10-17(13-15,16(18)21)19-11-4-2/h14-15,19H,3-13H2,1-2H3,(H2,18,21)
InChIKeyDPMOUCGONORSEX-UHFFFAOYSA-N
XLogP2.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636670
ethyl 3-[butyl(cyclopropyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79627138
[3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79640385
3-[butan-2-yl(methyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
CID 79636826
3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79626183
3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide
CID 79636571
3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79641656
3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide
CID 79628730
3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79636297
1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79635921
1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79642020

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide (CID 79626971) is 3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide is CCCCN(C1CC1)C1CCCC(NCCC)(C(N)=O)C1.
What is the InChIKey of 3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide?
The InChIKey is DPMOUCGONORSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-3-5-12-20(14-8-9-14)15-7-6-10-17(13-15,16(18)21)19-11-4-2/h14-15,19H,3-13H2,1-2H3,(H2,18,21).
What are the key properties of 3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide?
3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79626971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).