N-hexyl-6-methylheptanamide

C14H29NO — CID 141197249

IUPACN-hexyl-6-methylheptanamide
SMILESCCCCCCNC(=O)CCCCC(C)C
InChIInChI=1S/C14H29NO/c1-4-5-6-9-12-15-14(16)11-8-7-10-13(2)3/h13H,4-12H2,1-3H3,(H,15,16)
InChIKeyMYVZJPJSMIFWIY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.90
Rot. Bonds10

About N-hexyl-6-methylheptanamide

N-hexyl-6-methylheptanamide (PubChem CID 141197249) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-hexyl-6-methylheptanamide.

Molecular Properties

Compound NameN-hexyl-6-methylheptanamide
PubChem CID141197249
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-hexyl-6-methylheptanamide
SMILESCCCCCCNC(=O)CCCCC(C)C
InChIInChI=1S/C14H29NO/c1-4-5-6-9-12-15-14(16)11-8-7-10-13(2)3/h13H,4-12H2,1-3H3,(H,15,16)
InChIKeyMYVZJPJSMIFWIY-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-hexyl-6-methylheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-7-methyloctanamide
CID 154028337
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
N-(7-methyloctyl)-4-oxododecanamide
CID 165096838
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522

Frequently Asked Questions

What is the IUPAC name of N-hexyl-6-methylheptanamide?
The IUPAC name of N-hexyl-6-methylheptanamide (CID 141197249) is N-hexyl-6-methylheptanamide.
What is the SMILES notation for N-hexyl-6-methylheptanamide?
The canonical SMILES for N-hexyl-6-methylheptanamide is CCCCCCNC(=O)CCCCC(C)C.
What is the InChIKey of N-hexyl-6-methylheptanamide?
The InChIKey is MYVZJPJSMIFWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-5-6-9-12-15-14(16)11-8-7-10-13(2)3/h13H,4-12H2,1-3H3,(H,15,16).
What are the key properties of N-hexyl-6-methylheptanamide?
N-hexyl-6-methylheptanamide has a molecular weight of 227.39 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-6-methylheptanamide is sourced from PubChem (CID 141197249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).