(4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine

C12H19N — CID 87160355

IUPAC(4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine
SMILESC=CCC(/C=N/C)C/C=C(/C)C=C
InChIInChI=1S/C12H19N/c1-5-7-12(10-13-4)9-8-11(3)6-2/h5-6,8,10,12H,1-2,7,9H2,3-4H3/b11-8-,13-10+
InChIKeyVDNDPAPTACSQIH-HIIDVJQZSA-N
MW177.29 g/mol
LogP3.40
Rot. Bonds6

About (4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine

(4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine (PubChem CID 87160355) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine.

Molecular Properties

Compound Name(4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine
PubChem CID87160355
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine
SMILESC=CCC(/C=N/C)C/C=C(/C)C=C
InChIInChI=1S/C12H19N/c1-5-7-12(10-13-4)9-8-11(3)6-2/h5-6,8,10,12H,1-2,7,9H2,3-4H3/b11-8-,13-10+
InChIKeyVDNDPAPTACSQIH-HIIDVJQZSA-N
XLogP3.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine?
The IUPAC name of (4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine (CID 87160355) is (4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine.
What is the SMILES notation for (4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine?
The canonical SMILES for (4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine is C=CCC(/C=N/C)C/C=C(/C)C=C.
What is the InChIKey of (4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine?
The InChIKey is VDNDPAPTACSQIH-HIIDVJQZSA-N. The full InChI is InChI=1S/C12H19N/c1-5-7-12(10-13-4)9-8-11(3)6-2/h5-6,8,10,12H,1-2,7,9H2,3-4H3/b11-8-,13-10+.
What are the key properties of (4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine?
(4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine is sourced from PubChem (CID 87160355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).