(1Z,3E,5Z,7E)-1-N,2-N,3-trimethylnona-1,3,5,7-tetraene-1,2-diamine

C12H20N2 — CID 126679736

IUPAC(1Z,3E,5Z,7E)-1-N,2-N,3-trimethylnona-1,3,5,7-tetraene-1,2-diamine
SMILESC/C=C/C=C\C=C(C)\C(=C\NC)NC
InChIInChI=1S/C12H20N2/c1-5-6-7-8-9-11(2)12(14-4)10-13-3/h5-10,13-14H,1-4H3/b6-5+,8-7-,11-9+,12-10-
InChIKeyPMRNLVJKQWRXOC-RWLZAMNUSA-N
MW192.31 g/mol
LogP2.35
Rot. Bonds5

About (1Z,3E,5Z,7E)-1-N,2-N,3-trimethylnona-1,3,5,7-tetraene-1,2-diamine

(1Z,3E,5Z,7E)-1-N,2-N,3-trimethylnona-1,3,5,7-tetraene-1,2-diamine (PubChem CID 126679736) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (1Z,3E,5Z,7E)-1-N,2-N,3-trimethylnona-1,3,5,7-tetraene-1,2-diamine.

Molecular Properties

Compound Name(1Z,3E,5Z,7E)-1-N,2-N,3-trimethylnona-1,3,5,7-tetraene-1,2-diamine
PubChem CID126679736
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(1Z,3E,5Z,7E)-1-N,2-N,3-trimethylnona-1,3,5,7-tetraene-1,2-diamine
SMILESC/C=C/C=C\C=C(C)\C(=C\NC)NC
InChIInChI=1S/C12H20N2/c1-5-6-7-8-9-11(2)12(14-4)10-13-3/h5-10,13-14H,1-4H3/b6-5+,8-7-,11-9+,12-10-
InChIKeyPMRNLVJKQWRXOC-RWLZAMNUSA-N
XLogP2.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,3E,5Z,7E)-1-N,2-N,3-trimethylnona-1,3,5,7-tetraene-1,2-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 (1Z,3E,5Z,7E)-1-N,2-N,3-trimethylnona-1,3,5,7-tetraene-1,2-diamine?
The IUPAC name of (1Z,3E,5Z,7E)-1-N,2-N,3-trimethylnona-1,3,5,7-tetraene-1,2-diamine (CID 126679736) is (1Z,3E,5Z,7E)-1-N,2-N,3-trimethylnona-1,3,5,7-tetraene-1,2-diamine.
What is the SMILES notation for (1Z,3E,5Z,7E)-1-N,2-N,3-trimethylnona-1,3,5,7-tetraene-1,2-diamine?
The canonical SMILES for (1Z,3E,5Z,7E)-1-N,2-N,3-trimethylnona-1,3,5,7-tetraene-1,2-diamine is C/C=C/C=C\C=C(C)\C(=C\NC)NC.
What is the InChIKey of (1Z,3E,5Z,7E)-1-N,2-N,3-trimethylnona-1,3,5,7-tetraene-1,2-diamine?
The InChIKey is PMRNLVJKQWRXOC-RWLZAMNUSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-6-7-8-9-11(2)12(14-4)10-13-3/h5-10,13-14H,1-4H3/b6-5+,8-7-,11-9+,12-10-.
What are the key properties of (1Z,3E,5Z,7E)-1-N,2-N,3-trimethylnona-1,3,5,7-tetraene-1,2-diamine?
(1Z,3E,5Z,7E)-1-N,2-N,3-trimethylnona-1,3,5,7-tetraene-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5Z,7E)-1-N,2-N,3-trimethylnona-1,3,5,7-tetraene-1,2-diamine is sourced from PubChem (CID 126679736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).