(3Z)-6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine

C13H19N — CID 89379513

IUPAC(3Z)-6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C(/C=C\C(=C)C)=C\C=C(C)C
InChIInChI=1S/C13H19N/c1-10(2)6-8-13(12(5)14)9-7-11(3)4/h6-9,14H,1H2,2-5H3/b8-6-,13-9-,14-12+
InChIKeyAZSHTOGVDFCPLF-BDFUKKKHSA-N
MW189.30 g/mol
LogP4.05
Rot. Bonds4

About (3Z)-6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine

(3Z)-6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine (PubChem CID 89379513) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3Z)-6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine
PubChem CID89379513
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3Z)-6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C(/C=C\C(=C)C)=C\C=C(C)C
InChIInChI=1S/C13H19N/c1-10(2)6-8-13(12(5)14)9-7-11(3)4/h6-9,14H,1H2,2-5H3/b8-6-,13-9-,14-12+
InChIKeyAZSHTOGVDFCPLF-BDFUKKKHSA-N
XLogP4.05
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine?
The IUPAC name of (3Z)-6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine (CID 89379513) is (3Z)-6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine?
The canonical SMILES for (3Z)-6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine is [H]/N=C(C)/C(/C=C\C(=C)C)=C\C=C(C)C.
What is the InChIKey of (3Z)-6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine?
The InChIKey is AZSHTOGVDFCPLF-BDFUKKKHSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)6-8-13(12(5)14)9-7-11(3)4/h6-9,14H,1H2,2-5H3/b8-6-,13-9-,14-12+.
What are the key properties of (3Z)-6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine?
(3Z)-6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine has a molecular weight of 189.30 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine is sourced from PubChem (CID 89379513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).