1-N,1-N',1-N"-triethylpropane-1,1,1-triamine

C9H23N3 — CID 54516099

IUPAC1-N,1-N',1-N"-triethylpropane-1,1,1-triamine
SMILESCCNC(CC)(NCC)NCC
InChIInChI=1S/C9H23N3/c1-5-9(10-6-2,11-7-3)12-8-4/h10-12H,5-8H2,1-4H3
InChIKeyGJTJUKBBWQUBIF-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.88
Rot. Bonds7

About 1-N,1-N',1-N"-triethylpropane-1,1,1-triamine

1-N,1-N',1-N"-triethylpropane-1,1,1-triamine (PubChem CID 54516099) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-N,1-N',1-N"-triethylpropane-1,1,1-triamine.

Molecular Properties

Compound Name1-N,1-N',1-N"-triethylpropane-1,1,1-triamine
PubChem CID54516099
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Name1-N,1-N',1-N"-triethylpropane-1,1,1-triamine
SMILESCCNC(CC)(NCC)NCC
InChIInChI=1S/C9H23N3/c1-5-9(10-6-2,11-7-3)12-8-4/h10-12H,5-8H2,1-4H3
InChIKeyGJTJUKBBWQUBIF-UHFFFAOYSA-N
XLogP0.88
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-N,1-N',1-N"-triethylpropane-1,1,1-triamine 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 1-N,1-N',1-N"-triethylpropane-1,1,1-triamine?
The IUPAC name of 1-N,1-N',1-N"-triethylpropane-1,1,1-triamine (CID 54516099) is 1-N,1-N',1-N"-triethylpropane-1,1,1-triamine.
What is the SMILES notation for 1-N,1-N',1-N"-triethylpropane-1,1,1-triamine?
The canonical SMILES for 1-N,1-N',1-N"-triethylpropane-1,1,1-triamine is CCNC(CC)(NCC)NCC.
What is the InChIKey of 1-N,1-N',1-N"-triethylpropane-1,1,1-triamine?
The InChIKey is GJTJUKBBWQUBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-5-9(10-6-2,11-7-3)12-8-4/h10-12H,5-8H2,1-4H3.
What are the key properties of 1-N,1-N',1-N"-triethylpropane-1,1,1-triamine?
1-N,1-N',1-N"-triethylpropane-1,1,1-triamine has a molecular weight of 173.30 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N',1-N"-triethylpropane-1,1,1-triamine is sourced from PubChem (CID 54516099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).