N'-(3-nonoxypropyl)propane-1,3-diamine

C15H34N2O — CID 14325604

IUPACN'-(3-nonoxypropyl)propane-1,3-diamine
SMILESCCCCCCCCCOCCCNCCCN
InChIInChI=1S/C15H34N2O/c1-2-3-4-5-6-7-8-14-18-15-10-13-17-12-9-11-16/h17H,2-16H2,1H3
InChIKeyKBDHAIJOPOKRJY-UHFFFAOYSA-N
MW258.45 g/mol
LogP3.08
Rot. Bonds15

About N'-(3-nonoxypropyl)propane-1,3-diamine

N'-(3-nonoxypropyl)propane-1,3-diamine (PubChem CID 14325604) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is N'-(3-nonoxypropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-nonoxypropyl)propane-1,3-diamine
PubChem CID14325604
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC NameN'-(3-nonoxypropyl)propane-1,3-diamine
SMILESCCCCCCCCCOCCCNCCCN
InChIInChI=1S/C15H34N2O/c1-2-3-4-5-6-7-8-14-18-15-10-13-17-12-9-11-16/h17H,2-16H2,1H3
InChIKeyKBDHAIJOPOKRJY-UHFFFAOYSA-N
XLogP3.08
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3-nonoxypropyl)propane-1,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3-nonoxypropyl)propane-1,3-diamine?
The IUPAC name of N'-(3-nonoxypropyl)propane-1,3-diamine (CID 14325604) is N'-(3-nonoxypropyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-nonoxypropyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-nonoxypropyl)propane-1,3-diamine is CCCCCCCCCOCCCNCCCN.
What is the InChIKey of N'-(3-nonoxypropyl)propane-1,3-diamine?
The InChIKey is KBDHAIJOPOKRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-2-3-4-5-6-7-8-14-18-15-10-13-17-12-9-11-16/h17H,2-16H2,1H3.
What are the key properties of N'-(3-nonoxypropyl)propane-1,3-diamine?
N'-(3-nonoxypropyl)propane-1,3-diamine has a molecular weight of 258.45 g/mol, XLogP of 3.08, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-nonoxypropyl)propane-1,3-diamine is sourced from PubChem (CID 14325604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).