2-(aminomethyl)-N-(3,5-dimethylcyclohexyl)butanamide

C13H26N2O — CID 64731906

IUPAC2-(aminomethyl)-N-(3,5-dimethylcyclohexyl)butanamide
SMILESCCC(CN)C(=O)NC1CC(C)CC(C)C1
InChIInChI=1S/C13H26N2O/c1-4-11(8-14)13(16)15-12-6-9(2)5-10(3)7-12/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyVZPSSSLPXFUQGR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.91
Rot. Bonds4

About 2-(aminomethyl)-N-(3,5-dimethylcyclohexyl)butanamide

2-(aminomethyl)-N-(3,5-dimethylcyclohexyl)butanamide (PubChem CID 64731906) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3,5-dimethylcyclohexyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3,5-dimethylcyclohexyl)butanamide
PubChem CID64731906
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(aminomethyl)-N-(3,5-dimethylcyclohexyl)butanamide
SMILESCCC(CN)C(=O)NC1CC(C)CC(C)C1
InChIInChI=1S/C13H26N2O/c1-4-11(8-14)13(16)15-12-6-9(2)5-10(3)7-12/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyVZPSSSLPXFUQGR-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide
CID 62397142
2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107221949
N-cyclopropyl-2-ethylbutanamide
CID 5151098
2-(aminomethyl)-N-(2-methylcyclopropyl)pentanamide
CID 62397144
4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide
CID 143974335
3-amino-N-(3-methylcyclobutyl)-2-phenylpropanamide
CID 113266937
N-(3-aminocyclopentyl)-2-ethylbutanamide
CID 115267780
2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide
CID 62405592
5-amino-N-cyclopropyl-2-ethylpentanamide
CID 112515117
2-bromo-N-(3,5-dimethylcyclohexyl)acetamide
CID 64733863
2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
CID 65228931
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3,5-dimethylcyclohexyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(3,5-dimethylcyclohexyl)butanamide (CID 64731906) is 2-(aminomethyl)-N-(3,5-dimethylcyclohexyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3,5-dimethylcyclohexyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3,5-dimethylcyclohexyl)butanamide is CCC(CN)C(=O)NC1CC(C)CC(C)C1.
What is the InChIKey of 2-(aminomethyl)-N-(3,5-dimethylcyclohexyl)butanamide?
The InChIKey is VZPSSSLPXFUQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-11(8-14)13(16)15-12-6-9(2)5-10(3)7-12/h9-12H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-(3,5-dimethylcyclohexyl)butanamide?
2-(aminomethyl)-N-(3,5-dimethylcyclohexyl)butanamide has a molecular weight of 226.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3,5-dimethylcyclohexyl)butanamide is sourced from PubChem (CID 64731906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).