3-[(3-ethylcyclohexyl)amino]-N-methylbutanamide

C13H26N2O — CID 115723133

IUPAC3-[(3-ethylcyclohexyl)amino]-N-methylbutanamide
SMILESCCC1CCCC(NC(C)CC(=O)NC)C1
InChIInChI=1S/C13H26N2O/c1-4-11-6-5-7-12(9-11)15-10(2)8-13(16)14-3/h10-12,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyNEFSXFLQQYLEBP-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds5

About 3-[(3-ethylcyclohexyl)amino]-N-methylbutanamide

3-[(3-ethylcyclohexyl)amino]-N-methylbutanamide (PubChem CID 115723133) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[(3-ethylcyclohexyl)amino]-N-methylbutanamide.

Molecular Properties

Compound Name3-[(3-ethylcyclohexyl)amino]-N-methylbutanamide
PubChem CID115723133
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[(3-ethylcyclohexyl)amino]-N-methylbutanamide
SMILESCCC1CCCC(NC(C)CC(=O)NC)C1
InChIInChI=1S/C13H26N2O/c1-4-11-6-5-7-12(9-11)15-10(2)8-13(16)14-3/h10-12,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyNEFSXFLQQYLEBP-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide
CID 64741063
(2R)-2-[(3-ethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 103903038
1-(azepan-1-yl)-2-[(3-ethylcyclohexyl)amino]propan-1-one
CID 64741045
N-methyl-3-(oxan-3-ylamino)butanamide
CID 115717949
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol
CID 115656026
N-(3-ethylcyclohexyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111455996
N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427829
methyl 2-[(3-ethylcyclohexyl)amino]hexanoate
CID 103253767
2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide
CID 64750376
5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid
CID 103253786
N-(3-ethylcyclohexyl)-2-piperazin-1-ylpropanamide
CID 64743330

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylcyclohexyl)amino]-N-methylbutanamide?
The IUPAC name of 3-[(3-ethylcyclohexyl)amino]-N-methylbutanamide (CID 115723133) is 3-[(3-ethylcyclohexyl)amino]-N-methylbutanamide.
What is the SMILES notation for 3-[(3-ethylcyclohexyl)amino]-N-methylbutanamide?
The canonical SMILES for 3-[(3-ethylcyclohexyl)amino]-N-methylbutanamide is CCC1CCCC(NC(C)CC(=O)NC)C1.
What is the InChIKey of 3-[(3-ethylcyclohexyl)amino]-N-methylbutanamide?
The InChIKey is NEFSXFLQQYLEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-11-6-5-7-12(9-11)15-10(2)8-13(16)14-3/h10-12,15H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 3-[(3-ethylcyclohexyl)amino]-N-methylbutanamide?
3-[(3-ethylcyclohexyl)amino]-N-methylbutanamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylcyclohexyl)amino]-N-methylbutanamide is sourced from PubChem (CID 115723133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).