1-N",1-N"-dimethylpropane-1,1,1,3-tetramine

C5H16N4 — CID 57132181

IUPAC1-N",1-N"-dimethylpropane-1,1,1,3-tetramine
SMILESCN(C)C(N)(N)CCN
InChIInChI=1S/C5H16N4/c1-9(2)5(7,8)3-4-6/h3-4,6-8H2,1-2H3
InChIKeyPMQAQDAAWBINKZ-UHFFFAOYSA-N
MW132.21 g/mol
LogP-1.53
Rot. Bonds3

About 1-N",1-N"-dimethylpropane-1,1,1,3-tetramine

1-N",1-N"-dimethylpropane-1,1,1,3-tetramine (PubChem CID 57132181) has the molecular formula C5H16N4 and a molecular weight of 132.21 g/mol. Its IUPAC name is 1-N",1-N"-dimethylpropane-1,1,1,3-tetramine.

Molecular Properties

Compound Name1-N",1-N"-dimethylpropane-1,1,1,3-tetramine
PubChem CID57132181
Molecular FormulaC5H16N4
Molecular Weight132.21 g/mol
Exact Mass132.14
IUPAC Name1-N",1-N"-dimethylpropane-1,1,1,3-tetramine
SMILESCN(C)C(N)(N)CCN
InChIInChI=1S/C5H16N4/c1-9(2)5(7,8)3-4-6/h3-4,6-8H2,1-2H3
InChIKeyPMQAQDAAWBINKZ-UHFFFAOYSA-N
XLogP-1.53
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N",1-N"-dimethylpropane-1,1,1,3-tetramine 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"-dimethylpropane-1,1,1,3-tetramine?
The IUPAC name of 1-N",1-N"-dimethylpropane-1,1,1,3-tetramine (CID 57132181) is 1-N",1-N"-dimethylpropane-1,1,1,3-tetramine.
What is the SMILES notation for 1-N",1-N"-dimethylpropane-1,1,1,3-tetramine?
The canonical SMILES for 1-N",1-N"-dimethylpropane-1,1,1,3-tetramine is CN(C)C(N)(N)CCN.
What is the InChIKey of 1-N",1-N"-dimethylpropane-1,1,1,3-tetramine?
The InChIKey is PMQAQDAAWBINKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H16N4/c1-9(2)5(7,8)3-4-6/h3-4,6-8H2,1-2H3.
What are the key properties of 1-N",1-N"-dimethylpropane-1,1,1,3-tetramine?
1-N",1-N"-dimethylpropane-1,1,1,3-tetramine has a molecular weight of 132.21 g/mol, XLogP of -1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N",1-N"-dimethylpropane-1,1,1,3-tetramine is sourced from PubChem (CID 57132181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).