1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide

C13H27N3O — CID 79635988

IUPAC1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide
SMILESCCC(C)N(CC)C1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C13H27N3O/c1-4-10(3)16(5-2)11-7-6-8-13(15,9-11)12(14)17/h10-11H,4-9,15H2,1-3H3,(H2,14,17)
InChIKeyTVJWBABOGSEPFC-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.23
Rot. Bonds5

About 1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide

1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide (PubChem CID 79635988) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide
PubChem CID79635988
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide
SMILESCCC(C)N(CC)C1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C13H27N3O/c1-4-10(3)16(5-2)11-7-6-8-13(15,9-11)12(14)17/h10-11H,4-9,15H2,1-3H3,(H2,14,17)
InChIKeyTVJWBABOGSEPFC-UHFFFAOYSA-N
XLogP1.23
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide
CID 79636285
1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79641958
[1-amino-3-[butan-2-yl(ethyl)amino]cyclohexyl]methanol
CID 79635540
1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
CID 79641424
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide
CID 107870991
1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide
CID 82940436
1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79636910
1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide
CID 79636493
1-amino-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxamide
CID 79649570
1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 79641814
1-amino-3-[cyclopropyl(ethyl)amino]cyclohexane-1-carboxylic acid
CID 79636761
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide (CID 79635988) is 1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide is CCC(C)N(CC)C1CCCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide?
The InChIKey is TVJWBABOGSEPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-10(3)16(5-2)11-7-6-8-13(15,9-11)12(14)17/h10-11H,4-9,15H2,1-3H3,(H2,14,17).
What are the key properties of 1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide?
1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 79635988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).