1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine

C9H23N3 — CID 87406982

IUPAC1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine
SMILESCN(C)CCC(N(C)C)N(C)C
InChIInChI=1S/C9H23N3/c1-10(2)8-7-9(11(3)4)12(5)6/h9H,7-8H2,1-6H3
InChIKeyKLHDSUSQPANGCS-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.39
Rot. Bonds5

About 1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine

1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine (PubChem CID 87406982) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine
PubChem CID87406982
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Name1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine
SMILESCN(C)CCC(N(C)C)N(C)C
InChIInChI=1S/C9H23N3/c1-10(2)8-7-9(11(3)4)12(5)6/h9H,7-8H2,1-6H3
InChIKeyKLHDSUSQPANGCS-UHFFFAOYSA-N
XLogP0.39
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.39
H-Bond Donors ≤ 50
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',1-N',3-N,3-N-hexamethylpropane-1,1,3-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',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine?
The IUPAC name of 1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine (CID 87406982) is 1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine?
The canonical SMILES for 1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine is CN(C)CCC(N(C)C)N(C)C.
What is the InChIKey of 1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine?
The InChIKey is KLHDSUSQPANGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-10(2)8-7-9(11(3)4)12(5)6/h9H,7-8H2,1-6H3.
What are the key properties of 1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine?
1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine has a molecular weight of 173.30 g/mol, XLogP of 0.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine is sourced from PubChem (CID 87406982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).