propane-1,3-diamine;propane-2,2-diamine

C6H20N4 — CID 159356345

IUPACpropane-1,3-diamine;propane-2,2-diamine
SMILESCC(C)(N)N.NCCCN
InChIInChI=1S/2C3H10N2/c1-3(2,4)5;4-2-1-3-5/h4-5H2,1-2H3;1-5H2
InChIKeyLHYVICCOMWKJDG-UHFFFAOYSA-N
MW148.25 g/mol
LogP-1.07
Rot. Bonds2

About propane-1,3-diamine;propane-2,2-diamine

propane-1,3-diamine;propane-2,2-diamine (PubChem CID 159356345) has the molecular formula C6H20N4 and a molecular weight of 148.25 g/mol. Its IUPAC name is propane-1,3-diamine;propane-2,2-diamine.

Molecular Properties

Compound Namepropane-1,3-diamine;propane-2,2-diamine
PubChem CID159356345
Molecular FormulaC6H20N4
Molecular Weight148.25 g/mol
Exact Mass148.17
IUPAC Namepropane-1,3-diamine;propane-2,2-diamine
SMILESCC(C)(N)N.NCCCN
InChIInChI=1S/2C3H10N2/c1-3(2,4)5;4-2-1-3-5/h4-5H2,1-2H3;1-5H2
InChIKeyLHYVICCOMWKJDG-UHFFFAOYSA-N
XLogP-1.07
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propane-1,3-diamine;propane-2,2-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 propane-1,3-diamine;propane-2,2-diamine?
The IUPAC name of propane-1,3-diamine;propane-2,2-diamine (CID 159356345) is propane-1,3-diamine;propane-2,2-diamine.
What is the SMILES notation for propane-1,3-diamine;propane-2,2-diamine?
The canonical SMILES for propane-1,3-diamine;propane-2,2-diamine is CC(C)(N)N.NCCCN.
What is the InChIKey of propane-1,3-diamine;propane-2,2-diamine?
The InChIKey is LHYVICCOMWKJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H10N2/c1-3(2,4)5;4-2-1-3-5/h4-5H2,1-2H3;1-5H2.
What are the key properties of propane-1,3-diamine;propane-2,2-diamine?
propane-1,3-diamine;propane-2,2-diamine has a molecular weight of 148.25 g/mol, XLogP of -1.07, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,3-diamine;propane-2,2-diamine is sourced from PubChem (CID 159356345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).