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

C13H26N2O — CID 64747634

IUPAC3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide
SMILESCCC1CCCC(NC(=O)CC(C)(C)N)C1
InChIInChI=1S/C13H26N2O/c1-4-10-6-5-7-11(8-10)15-12(16)9-13(2,3)14/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyFIHCLHJNEXICST-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.20
Rot. Bonds4

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

3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide (PubChem CID 64747634) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide
PubChem CID64747634
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide
SMILESCCC1CCCC(NC(=O)CC(C)(C)N)C1
InChIInChI=1S/C13H26N2O/c1-4-10-6-5-7-11(8-10)15-12(16)9-13(2,3)14/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyFIHCLHJNEXICST-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(3-ethylcyclohexyl)butanamide
CID 64748225
2-ethoxy-N-(3-ethylcyclohexyl)acetamide
CID 64748602
2-cyano-N-(3-ethylcyclohexyl)acetamide
CID 64748833
N-(3-ethylcyclohexyl)-5-hydroxypentanamide
CID 79210264
3-[(3-ethylcyclohexyl)carbamoylamino]-3-methylbutanoic acid
CID 64743923
N-cyclohexyl-2-[(3-ethylcyclohexyl)amino]acetamide
CID 64742794
3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide
CID 64677785
N-(3-ethylcyclohexyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 111448127
2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801081
3-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 64684396
2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide
CID 64750376
2-amino-N-(3-ethylcyclohexyl)pentanamide;hydrochloride
CID 119329059

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide (CID 64747634) is 3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide is CCC1CCCC(NC(=O)CC(C)(C)N)C1.
What is the InChIKey of 3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide?
The InChIKey is FIHCLHJNEXICST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-10-6-5-7-11(8-10)15-12(16)9-13(2,3)14/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide?
3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide has a molecular weight of 226.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide is sourced from PubChem (CID 64747634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).