3-(aminomethyl)-N-(2,5-dimethylphenyl)hexanamide

C15H24N2O — CID 112516019

IUPAC3-(aminomethyl)-N-(2,5-dimethylphenyl)hexanamide
SMILESCCCC(CN)CC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C15H24N2O/c1-4-5-13(10-16)9-15(18)17-14-8-11(2)6-7-12(14)3/h6-8,13H,4-5,9-10,16H2,1-3H3,(H,17,18)
InChIKeyHTEREBRNIVECGV-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.01
Rot. Bonds6

About 3-(aminomethyl)-N-(2,5-dimethylphenyl)hexanamide

3-(aminomethyl)-N-(2,5-dimethylphenyl)hexanamide (PubChem CID 112516019) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,5-dimethylphenyl)hexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,5-dimethylphenyl)hexanamide
PubChem CID112516019
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(aminomethyl)-N-(2,5-dimethylphenyl)hexanamide
SMILESCCCC(CN)CC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C15H24N2O/c1-4-5-13(10-16)9-15(18)17-14-8-11(2)6-7-12(14)3/h6-8,13H,4-5,9-10,16H2,1-3H3,(H,17,18)
InChIKeyHTEREBRNIVECGV-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673
5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
5-(2,5-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62965721
4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604
(2S)-2-bromo-N-[3-(2,5-dimethylanilino)-3-oxopropyl]pentanamide
CID 40803266
N-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride
CID 120568529
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide
CID 103830807
2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid
CID 61199945
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033115
N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032011

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,5-dimethylphenyl)hexanamide?
The IUPAC name of 3-(aminomethyl)-N-(2,5-dimethylphenyl)hexanamide (CID 112516019) is 3-(aminomethyl)-N-(2,5-dimethylphenyl)hexanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,5-dimethylphenyl)hexanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,5-dimethylphenyl)hexanamide is CCCC(CN)CC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of 3-(aminomethyl)-N-(2,5-dimethylphenyl)hexanamide?
The InChIKey is HTEREBRNIVECGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-13(10-16)9-15(18)17-14-8-11(2)6-7-12(14)3/h6-8,13H,4-5,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of 3-(aminomethyl)-N-(2,5-dimethylphenyl)hexanamide?
3-(aminomethyl)-N-(2,5-dimethylphenyl)hexanamide has a molecular weight of 248.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,5-dimethylphenyl)hexanamide is sourced from PubChem (CID 112516019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).