2-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-2-methylbutanamide

C14H28N2O — CID 113270099

IUPAC2-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C14H28N2O/c1-5-14(4,9-15)13(17)16-12-7-6-10(2)11(3)8-12/h10-12H,5-9,15H2,1-4H3,(H,16,17)
InChIKeyOWKIXVSOXKFTCZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.30
Rot. Bonds4

About 2-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-2-methylbutanamide

2-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-2-methylbutanamide (PubChem CID 113270099) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-2-methylbutanamide
PubChem CID113270099
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C14H28N2O/c1-5-14(4,9-15)13(17)16-12-7-6-10(2)11(3)8-12/h10-12H,5-9,15H2,1-4H3,(H,16,17)
InChIKeyOWKIXVSOXKFTCZ-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-2-methylbutanamide (CID 113270099) is 2-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-2-methylbutanamide is CCC(C)(CN)C(=O)NC1CCC(C)C(C)C1.
What is the InChIKey of 2-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-2-methylbutanamide?
The InChIKey is OWKIXVSOXKFTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-14(4,9-15)13(17)16-12-7-6-10(2)11(3)8-12/h10-12H,5-9,15H2,1-4H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-2-methylbutanamide?
2-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-2-methylbutanamide has a molecular weight of 240.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-2-methylbutanamide is sourced from PubChem (CID 113270099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).