1-N-prop-2-enyl-1-N'-[1-(prop-2-enylamino)prop-2-enyl]prop-2-ene-1,1-diamine

C12H21N3 — CID 87570772

IUPAC1-N-prop-2-enyl-1-N'-[1-(prop-2-enylamino)prop-2-enyl]prop-2-ene-1,1-diamine
SMILESC=CCNC(C=C)NC(C=C)NCC=C
InChIInChI=1S/C12H21N3/c1-5-9-13-11(7-3)15-12(8-4)14-10-6-2/h5-8,11-15H,1-4,9-10H2
InChIKeyQXLFOHFZUMFVHI-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.15
Rot. Bonds10

About 1-N-prop-2-enyl-1-N'-[1-(prop-2-enylamino)prop-2-enyl]prop-2-ene-1,1-diamine

1-N-prop-2-enyl-1-N'-[1-(prop-2-enylamino)prop-2-enyl]prop-2-ene-1,1-diamine (PubChem CID 87570772) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-N-prop-2-enyl-1-N'-[1-(prop-2-enylamino)prop-2-enyl]prop-2-ene-1,1-diamine.

Molecular Properties

Compound Name1-N-prop-2-enyl-1-N'-[1-(prop-2-enylamino)prop-2-enyl]prop-2-ene-1,1-diamine
PubChem CID87570772
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-N-prop-2-enyl-1-N'-[1-(prop-2-enylamino)prop-2-enyl]prop-2-ene-1,1-diamine
SMILESC=CCNC(C=C)NC(C=C)NCC=C
InChIInChI=1S/C12H21N3/c1-5-9-13-11(7-3)15-12(8-4)14-10-6-2/h5-8,11-15H,1-4,9-10H2
InChIKeyQXLFOHFZUMFVHI-UHFFFAOYSA-N
XLogP1.15
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-prop-2-enyl-1-N'-[1-(prop-2-enylamino)prop-2-enyl]prop-2-ene-1,1-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 1-N-prop-2-enyl-1-N'-[1-(prop-2-enylamino)prop-2-enyl]prop-2-ene-1,1-diamine?
The IUPAC name of 1-N-prop-2-enyl-1-N'-[1-(prop-2-enylamino)prop-2-enyl]prop-2-ene-1,1-diamine (CID 87570772) is 1-N-prop-2-enyl-1-N'-[1-(prop-2-enylamino)prop-2-enyl]prop-2-ene-1,1-diamine.
What is the SMILES notation for 1-N-prop-2-enyl-1-N'-[1-(prop-2-enylamino)prop-2-enyl]prop-2-ene-1,1-diamine?
The canonical SMILES for 1-N-prop-2-enyl-1-N'-[1-(prop-2-enylamino)prop-2-enyl]prop-2-ene-1,1-diamine is C=CCNC(C=C)NC(C=C)NCC=C.
What is the InChIKey of 1-N-prop-2-enyl-1-N'-[1-(prop-2-enylamino)prop-2-enyl]prop-2-ene-1,1-diamine?
The InChIKey is QXLFOHFZUMFVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-9-13-11(7-3)15-12(8-4)14-10-6-2/h5-8,11-15H,1-4,9-10H2.
What are the key properties of 1-N-prop-2-enyl-1-N'-[1-(prop-2-enylamino)prop-2-enyl]prop-2-ene-1,1-diamine?
1-N-prop-2-enyl-1-N'-[1-(prop-2-enylamino)prop-2-enyl]prop-2-ene-1,1-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.15, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-prop-2-enyl-1-N'-[1-(prop-2-enylamino)prop-2-enyl]prop-2-ene-1,1-diamine is sourced from PubChem (CID 87570772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).