N-(4-aminobutyl)-N-(3-aminopropyl)hexanamide

C13H29N3O — CID 86127607

IUPACN-(4-aminobutyl)-N-(3-aminopropyl)hexanamide
SMILESCCCCCC(=O)N(CCCN)CCCCN
InChIInChI=1S/C13H29N3O/c1-2-3-4-8-13(17)16(12-7-10-15)11-6-5-9-14/h2-12,14-15H2,1H3
InChIKeyRIYFDCXURUKYPE-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.48
Rot. Bonds11

About N-(4-aminobutyl)-N-(3-aminopropyl)hexanamide

N-(4-aminobutyl)-N-(3-aminopropyl)hexanamide (PubChem CID 86127607) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(4-aminobutyl)-N-(3-aminopropyl)hexanamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-N-(3-aminopropyl)hexanamide
PubChem CID86127607
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-(4-aminobutyl)-N-(3-aminopropyl)hexanamide
SMILESCCCCCC(=O)N(CCCN)CCCCN
InChIInChI=1S/C13H29N3O/c1-2-3-4-8-13(17)16(12-7-10-15)11-6-5-9-14/h2-12,14-15H2,1H3
InChIKeyRIYFDCXURUKYPE-UHFFFAOYSA-N
XLogP1.48
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-aminobutyl)-N-(3-aminopropyl)hexanamide?
The IUPAC name of N-(4-aminobutyl)-N-(3-aminopropyl)hexanamide (CID 86127607) is N-(4-aminobutyl)-N-(3-aminopropyl)hexanamide.
What is the SMILES notation for N-(4-aminobutyl)-N-(3-aminopropyl)hexanamide?
The canonical SMILES for N-(4-aminobutyl)-N-(3-aminopropyl)hexanamide is CCCCCC(=O)N(CCCN)CCCCN.
What is the InChIKey of N-(4-aminobutyl)-N-(3-aminopropyl)hexanamide?
The InChIKey is RIYFDCXURUKYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-2-3-4-8-13(17)16(12-7-10-15)11-6-5-9-14/h2-12,14-15H2,1H3.
What are the key properties of N-(4-aminobutyl)-N-(3-aminopropyl)hexanamide?
N-(4-aminobutyl)-N-(3-aminopropyl)hexanamide has a molecular weight of 243.39 g/mol, XLogP of 1.48, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-N-(3-aminopropyl)hexanamide is sourced from PubChem (CID 86127607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).