3-(2-ethylbutylamino)cyclohexane-1-carboxamide

C13H26N2O — CID 115756932

IUPAC3-(2-ethylbutylamino)cyclohexane-1-carboxamide
SMILESCCC(CC)CNC1CCCC(C(N)=O)C1
InChIInChI=1S/C13H26N2O/c1-3-10(4-2)9-15-12-7-5-6-11(8-12)13(14)16/h10-12,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyBCKBKFZNEHENDM-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds6

About 3-(2-ethylbutylamino)cyclohexane-1-carboxamide

3-(2-ethylbutylamino)cyclohexane-1-carboxamide (PubChem CID 115756932) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(2-ethylbutylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-ethylbutylamino)cyclohexane-1-carboxamide
PubChem CID115756932
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(2-ethylbutylamino)cyclohexane-1-carboxamide
SMILESCCC(CC)CNC1CCCC(C(N)=O)C1
InChIInChI=1S/C13H26N2O/c1-3-10(4-2)9-15-12-7-5-6-11(8-12)13(14)16/h10-12,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyBCKBKFZNEHENDM-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-hydroxybutylamino)cyclohexane-1-carboxamide
CID 61042883
3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid
CID 63042445
trans-(1R,3R)-N-(2-ethylbutyl)-3-methylsulfonylcyclohexan-1-amine
CID 97096018
3-(2-aminopentanoylamino)cyclohexane-1-carboxamide
CID 119309150
3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide
CID 175888912
3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide
CID 168729925
[(1S,3S)-3-carbamoylcyclohexyl]carbamic acid
CID 68629698
methyl 4-[[(3-carbamoylcyclohexyl)amino]methyl]benzoate
CID 75516263
1-(cyclobutylamino)butan-2-ol
CID 62416322
(2S)-1-N-cyclobutylbutane-1,2-diamine
CID 94424015
ethyl 3-(cyclobutylamino)-2-methylpropanoate
CID 62415345
3-propylcyclohexane-1-carboxamide
CID 141116974

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(2-ethylbutylamino)cyclohexane-1-carboxamide (CID 115756932) is 3-(2-ethylbutylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-ethylbutylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-ethylbutylamino)cyclohexane-1-carboxamide is CCC(CC)CNC1CCCC(C(N)=O)C1.
What is the InChIKey of 3-(2-ethylbutylamino)cyclohexane-1-carboxamide?
The InChIKey is BCKBKFZNEHENDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-10(4-2)9-15-12-7-5-6-11(8-12)13(14)16/h10-12,15H,3-9H2,1-2H3,(H2,14,16).
What are the key properties of 3-(2-ethylbutylamino)cyclohexane-1-carboxamide?
3-(2-ethylbutylamino)cyclohexane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 115756932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).