N-(5-amino-4-methylpentyl)hexanamide

C12H26N2O — CID 57163193

IUPACN-(5-amino-4-methylpentyl)hexanamide
SMILESCCCCCC(=O)NCCCC(C)CN
InChIInChI=1S/C12H26N2O/c1-3-4-5-8-12(15)14-9-6-7-11(2)10-13/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyXVXMTNXYCPAJGI-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.06
Rot. Bonds9

About N-(5-amino-4-methylpentyl)hexanamide

N-(5-amino-4-methylpentyl)hexanamide (PubChem CID 57163193) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)hexanamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)hexanamide
PubChem CID57163193
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(5-amino-4-methylpentyl)hexanamide
SMILESCCCCCC(=O)NCCCC(C)CN
InChIInChI=1S/C12H26N2O/c1-3-4-5-8-12(15)14-9-6-7-11(2)10-13/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyXVXMTNXYCPAJGI-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.06
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-bromo-4-methylpentyl)hexanamide
CID 106157334
5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid
CID 82689538
N-(4-bromopentyl)heptanamide
CID 106131403
N-(4,4-dihydroxybutyl)decanamide
CID 163472337
N-(4-ethylhexyl)hexanamide
CID 155589140
N-hexyl-N'-(7-methyldecyl)pentanediamide
CID 167061111
N-hexyl-6-methylheptanamide
CID 141197249
5-amino-N-(4-hydroxybutyl)-4-methylpentanamide
CID 106842029
N-pentylicosanamide
CID 139961886
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-nonyltridecanamide
CID 154228217
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)hexanamide?
The IUPAC name of N-(5-amino-4-methylpentyl)hexanamide (CID 57163193) is N-(5-amino-4-methylpentyl)hexanamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)hexanamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)hexanamide is CCCCCC(=O)NCCCC(C)CN.
What is the InChIKey of N-(5-amino-4-methylpentyl)hexanamide?
The InChIKey is XVXMTNXYCPAJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-4-5-8-12(15)14-9-6-7-11(2)10-13/h11H,3-10,13H2,1-2H3,(H,14,15).
What are the key properties of N-(5-amino-4-methylpentyl)hexanamide?
N-(5-amino-4-methylpentyl)hexanamide has a molecular weight of 214.35 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)hexanamide is sourced from PubChem (CID 57163193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).