(3E,5Z)-N-ethenyl-3,4-dimethyl-7-methylidene-6-propylnona-3,5-dien-2-imine

C17H27N — CID 134299432

IUPAC(3E,5Z)-N-ethenyl-3,4-dimethyl-7-methylidene-6-propylnona-3,5-dien-2-imine
SMILESC=C/N=C(C)/C(C)=C(C)/C=C(/CCC)C(=C)CC
InChIInChI=1S/C17H27N/c1-8-11-17(13(4)9-2)12-14(5)15(6)16(7)18-10-3/h10,12H,3-4,8-9,11H2,1-2,5-7H3/b15-14+,17-12-,18-16+
InChIKeySCOXPJMGLCQLLN-HKKVMTBSSA-N
MW245.41 g/mol
LogP5.62
Rot. Bonds7

About (3E,5Z)-N-ethenyl-3,4-dimethyl-7-methylidene-6-propylnona-3,5-dien-2-imine

(3E,5Z)-N-ethenyl-3,4-dimethyl-7-methylidene-6-propylnona-3,5-dien-2-imine (PubChem CID 134299432) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (3E,5Z)-N-ethenyl-3,4-dimethyl-7-methylidene-6-propylnona-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E,5Z)-N-ethenyl-3,4-dimethyl-7-methylidene-6-propylnona-3,5-dien-2-imine
PubChem CID134299432
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(3E,5Z)-N-ethenyl-3,4-dimethyl-7-methylidene-6-propylnona-3,5-dien-2-imine
SMILESC=C/N=C(C)/C(C)=C(C)/C=C(/CCC)C(=C)CC
InChIInChI=1S/C17H27N/c1-8-11-17(13(4)9-2)12-14(5)15(6)16(7)18-10-3/h10,12H,3-4,8-9,11H2,1-2,5-7H3/b15-14+,17-12-,18-16+
InChIKeySCOXPJMGLCQLLN-HKKVMTBSSA-N
XLogP5.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.62
H-Bond Donors ≤ 50
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 (3E,5Z)-N-ethenyl-3,4-dimethyl-7-methylidene-6-propylnona-3,5-dien-2-imine?
The IUPAC name of (3E,5Z)-N-ethenyl-3,4-dimethyl-7-methylidene-6-propylnona-3,5-dien-2-imine (CID 134299432) is (3E,5Z)-N-ethenyl-3,4-dimethyl-7-methylidene-6-propylnona-3,5-dien-2-imine.
What is the SMILES notation for (3E,5Z)-N-ethenyl-3,4-dimethyl-7-methylidene-6-propylnona-3,5-dien-2-imine?
The canonical SMILES for (3E,5Z)-N-ethenyl-3,4-dimethyl-7-methylidene-6-propylnona-3,5-dien-2-imine is C=C/N=C(C)/C(C)=C(C)/C=C(/CCC)C(=C)CC.
What is the InChIKey of (3E,5Z)-N-ethenyl-3,4-dimethyl-7-methylidene-6-propylnona-3,5-dien-2-imine?
The InChIKey is SCOXPJMGLCQLLN-HKKVMTBSSA-N. The full InChI is InChI=1S/C17H27N/c1-8-11-17(13(4)9-2)12-14(5)15(6)16(7)18-10-3/h10,12H,3-4,8-9,11H2,1-2,5-7H3/b15-14+,17-12-,18-16+.
What are the key properties of (3E,5Z)-N-ethenyl-3,4-dimethyl-7-methylidene-6-propylnona-3,5-dien-2-imine?
(3E,5Z)-N-ethenyl-3,4-dimethyl-7-methylidene-6-propylnona-3,5-dien-2-imine has a molecular weight of 245.41 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-ethenyl-3,4-dimethyl-7-methylidene-6-propylnona-3,5-dien-2-imine is sourced from PubChem (CID 134299432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).