3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide

C16H31N3O — CID 79636571

IUPAC3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide
SMILESCCCCN(CC)C1CCCC(NC2CC2)(C(N)=O)C1
InChIInChI=1S/C16H31N3O/c1-3-5-11-19(4-2)14-7-6-10-16(12-14,15(17)20)18-13-8-9-13/h13-14,18H,3-12H2,1-2H3,(H2,17,20)
InChIKeyONDBBPWGIWCQJI-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.03
Rot. Bonds8

About 3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide

3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide (PubChem CID 79636571) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide
PubChem CID79636571
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide
SMILESCCCCN(CC)C1CCCC(NC2CC2)(C(N)=O)C1
InChIInChI=1S/C16H31N3O/c1-3-5-11-19(4-2)14-7-6-10-16(12-14,15(17)20)18-13-8-9-13/h13-14,18H,3-12H2,1-2H3,(H2,17,20)
InChIKeyONDBBPWGIWCQJI-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide
CID 79636529
3-[cyclopentyl(ethyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxamide
CID 79655119
methyl 3-[butyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79627274
1-(cyclopropylamino)-3-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxamide
CID 79641404
3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636670
3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
CID 79626971
1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646385
[3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclopentyl]methanol
CID 79656594
1-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]cyclopentane-1-carboxamide
CID 79655102
3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79636451
3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79636297
1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79635921

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide (CID 79636571) is 3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide is CCCCN(CC)C1CCCC(NC2CC2)(C(N)=O)C1.
What is the InChIKey of 3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide?
The InChIKey is ONDBBPWGIWCQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-5-11-19(4-2)14-7-6-10-16(12-14,15(17)20)18-13-8-9-13/h13-14,18H,3-12H2,1-2H3,(H2,17,20).
What are the key properties of 3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide?
3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79636571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).