propane-1,2-diamine;prop-1-ene

C6H16N2 — CID 161476573

IUPACpropane-1,2-diamine;prop-1-ene
SMILESC=CC.CC(N)CN
InChIInChI=1S/C3H10N2.C3H6/c1-3(5)2-4;1-3-2/h3H,2,4-5H2,1H3;3H,1H2,2H3
InChIKeyWDUHACNKXYIOAB-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.48
Rot. Bonds1

About propane-1,2-diamine;prop-1-ene

propane-1,2-diamine;prop-1-ene (PubChem CID 161476573) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is propane-1,2-diamine;prop-1-ene.

Molecular Properties

Compound Namepropane-1,2-diamine;prop-1-ene
PubChem CID161476573
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Namepropane-1,2-diamine;prop-1-ene
SMILESC=CC.CC(N)CN
InChIInChI=1S/C3H10N2.C3H6/c1-3(5)2-4;1-3-2/h3H,2,4-5H2,1H3;3H,1H2,2H3
InChIKeyWDUHACNKXYIOAB-UHFFFAOYSA-N
XLogP0.48
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze propane-1,2-diamine;prop-1-ene with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-propane-1,2-diamine
CID 642322
palladium;propane-1,2-diamine
CID 87255476
gold(3+);bis(propane-1,2-diamine);trichloride
CID 73456733
1-N-octadecylpropane-1,2-diamine;propane-1,2-diamine;bis(prop-1-ene)
CID 18792185
ethanamine;prop-1-ene
CID 142862814
ethanol;propane-1,2-diamine
CID 161334035
ethane;2-methylpropane;prop-1-ene
CID 142053608
2-methylpropane;prop-2-en-1-amine
CID 161130166
methanamine;prop-1-ene
CID 174317036
dilithium;hydride;prop-1-ene
CID 173133510
prop-1-ene
CID 162178440
CID 173365109
CID 173365109

Frequently Asked Questions

What is the IUPAC name of propane-1,2-diamine;prop-1-ene?
The IUPAC name of propane-1,2-diamine;prop-1-ene (CID 161476573) is propane-1,2-diamine;prop-1-ene.
What is the SMILES notation for propane-1,2-diamine;prop-1-ene?
The canonical SMILES for propane-1,2-diamine;prop-1-ene is C=CC.CC(N)CN.
What is the InChIKey of propane-1,2-diamine;prop-1-ene?
The InChIKey is WDUHACNKXYIOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2.C3H6/c1-3(5)2-4;1-3-2/h3H,2,4-5H2,1H3;3H,1H2,2H3.
What are the key properties of propane-1,2-diamine;prop-1-ene?
propane-1,2-diamine;prop-1-ene has a molecular weight of 116.21 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2-diamine;prop-1-ene is sourced from PubChem (CID 161476573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).