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

C14H30N2O — CID 11107544

IUPACN-(5-amino-4-methylpentyl)octanamide
SMILESCCCCCCCC(=O)NCCCC(C)CN
InChIInChI=1S/C14H30N2O/c1-3-4-5-6-7-10-14(17)16-11-8-9-13(2)12-15/h13H,3-12,15H2,1-2H3,(H,16,17)
InChIKeyQBHRDVMKFAELOQ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.84
Rot. Bonds11

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

N-(5-amino-4-methylpentyl)octanamide (PubChem CID 11107544) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)octanamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)octanamide
PubChem CID11107544
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-(5-amino-4-methylpentyl)octanamide
SMILESCCCCCCCC(=O)NCCCC(C)CN
InChIInChI=1S/C14H30N2O/c1-3-4-5-6-7-10-14(17)16-11-8-9-13(2)12-15/h13H,3-12,15H2,1-2H3,(H,16,17)
InChIKeyQBHRDVMKFAELOQ-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.84
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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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)octanamide?
The IUPAC name of N-(5-amino-4-methylpentyl)octanamide (CID 11107544) is N-(5-amino-4-methylpentyl)octanamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)octanamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)octanamide is CCCCCCCC(=O)NCCCC(C)CN.
What is the InChIKey of N-(5-amino-4-methylpentyl)octanamide?
The InChIKey is QBHRDVMKFAELOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-4-5-6-7-10-14(17)16-11-8-9-13(2)12-15/h13H,3-12,15H2,1-2H3,(H,16,17).
What are the key properties of N-(5-amino-4-methylpentyl)octanamide?
N-(5-amino-4-methylpentyl)octanamide has a molecular weight of 242.41 g/mol, XLogP of 2.84, 11 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)octanamide is sourced from PubChem (CID 11107544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).