N-[5-(aminomethyl)-2-methylphenyl]hexanamide

C14H22N2O — CID 62104488

IUPACN-[5-(aminomethyl)-2-methylphenyl]hexanamide
SMILESCCCCCC(=O)Nc1cc(CN)ccc1C
InChIInChI=1S/C14H22N2O/c1-3-4-5-6-14(17)16-13-9-12(10-15)8-7-11(13)2/h7-9H,3-6,10,15H2,1-2H3,(H,16,17)
InChIKeyOODPZVOVQQLMGL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.97
Rot. Bonds6

About N-[5-(aminomethyl)-2-methylphenyl]hexanamide

N-[5-(aminomethyl)-2-methylphenyl]hexanamide (PubChem CID 62104488) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methylphenyl]hexanamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methylphenyl]hexanamide
PubChem CID62104488
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[5-(aminomethyl)-2-methylphenyl]hexanamide
SMILESCCCCCC(=O)Nc1cc(CN)ccc1C
InChIInChI=1S/C14H22N2O/c1-3-4-5-6-14(17)16-13-9-12(10-15)8-7-11(13)2/h7-9H,3-6,10,15H2,1-2H3,(H,16,17)
InChIKeyOODPZVOVQQLMGL-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide
CID 62104870
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
4-methyl-3-(octadecanoylamino)benzoic acid
CID 12800027
1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea
CID 62104342
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
CID 39193331
N-(2-methyl-5-propan-2-ylphenyl)octanamide
CID 4069709
N-(5-iodo-2-methylphenyl)pentanamide
CID 130168054
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide
CID 60803826
N-[4-[4-(heptanoylamino)-3-methylphenyl]-2-methylphenyl]heptanamide
CID 4180295

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]hexanamide?
The IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]hexanamide (CID 62104488) is N-[5-(aminomethyl)-2-methylphenyl]hexanamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-methylphenyl]hexanamide?
The canonical SMILES for N-[5-(aminomethyl)-2-methylphenyl]hexanamide is CCCCCC(=O)Nc1cc(CN)ccc1C.
What is the InChIKey of N-[5-(aminomethyl)-2-methylphenyl]hexanamide?
The InChIKey is OODPZVOVQQLMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-4-5-6-14(17)16-13-9-12(10-15)8-7-11(13)2/h7-9H,3-6,10,15H2,1-2H3,(H,16,17).
What are the key properties of N-[5-(aminomethyl)-2-methylphenyl]hexanamide?
N-[5-(aminomethyl)-2-methylphenyl]hexanamide has a molecular weight of 234.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-methylphenyl]hexanamide is sourced from PubChem (CID 62104488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).