(3Z,5Z,8E,10Z)-12-imino-8-methyldodeca-1,3,5,8,10-pentaen-6-amine

C13H18N2 — CID 118088323

IUPAC(3Z,5Z,8E,10Z)-12-imino-8-methyldodeca-1,3,5,8,10-pentaen-6-amine
SMILES[H]/N=C/C=C\C=C(/C)C/C(N)=C/C=C\C=C
InChIInChI=1S/C13H18N2/c1-3-4-5-9-13(15)11-12(2)8-6-7-10-14/h3-10,14H,1,11,15H2,2H3/b5-4-,7-6-,12-8+,13-9-,14-10+
InChIKeyBKMPVGOTQSHPRY-UTVSLKTRSA-N
MW202.30 g/mol
LogP3.11
Rot. Bonds6

About (3Z,5Z,8E,10Z)-12-imino-8-methyldodeca-1,3,5,8,10-pentaen-6-amine

(3Z,5Z,8E,10Z)-12-imino-8-methyldodeca-1,3,5,8,10-pentaen-6-amine (PubChem CID 118088323) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (3Z,5Z,8E,10Z)-12-imino-8-methyldodeca-1,3,5,8,10-pentaen-6-amine.

Molecular Properties

Compound Name(3Z,5Z,8E,10Z)-12-imino-8-methyldodeca-1,3,5,8,10-pentaen-6-amine
PubChem CID118088323
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(3Z,5Z,8E,10Z)-12-imino-8-methyldodeca-1,3,5,8,10-pentaen-6-amine
SMILES[H]/N=C/C=C\C=C(/C)C/C(N)=C/C=C\C=C
InChIInChI=1S/C13H18N2/c1-3-4-5-9-13(15)11-12(2)8-6-7-10-14/h3-10,14H,1,11,15H2,2H3/b5-4-,7-6-,12-8+,13-9-,14-10+
InChIKeyBKMPVGOTQSHPRY-UTVSLKTRSA-N
XLogP3.11
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5Z,8E,10Z)-12-imino-8-methyldodeca-1,3,5,8,10-pentaen-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,8E,10Z)-12-imino-8-methyldodeca-1,3,5,8,10-pentaen-6-amine?
The IUPAC name of (3Z,5Z,8E,10Z)-12-imino-8-methyldodeca-1,3,5,8,10-pentaen-6-amine (CID 118088323) is (3Z,5Z,8E,10Z)-12-imino-8-methyldodeca-1,3,5,8,10-pentaen-6-amine.
What is the SMILES notation for (3Z,5Z,8E,10Z)-12-imino-8-methyldodeca-1,3,5,8,10-pentaen-6-amine?
The canonical SMILES for (3Z,5Z,8E,10Z)-12-imino-8-methyldodeca-1,3,5,8,10-pentaen-6-amine is [H]/N=C/C=C\C=C(/C)C/C(N)=C/C=C\C=C.
What is the InChIKey of (3Z,5Z,8E,10Z)-12-imino-8-methyldodeca-1,3,5,8,10-pentaen-6-amine?
The InChIKey is BKMPVGOTQSHPRY-UTVSLKTRSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-4-5-9-13(15)11-12(2)8-6-7-10-14/h3-10,14H,1,11,15H2,2H3/b5-4-,7-6-,12-8+,13-9-,14-10+.
What are the key properties of (3Z,5Z,8E,10Z)-12-imino-8-methyldodeca-1,3,5,8,10-pentaen-6-amine?
(3Z,5Z,8E,10Z)-12-imino-8-methyldodeca-1,3,5,8,10-pentaen-6-amine has a molecular weight of 202.30 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,8E,10Z)-12-imino-8-methyldodeca-1,3,5,8,10-pentaen-6-amine is sourced from PubChem (CID 118088323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).