(7E,12Z)-N,3,7-trimethyltetradeca-7,12-dien-2-imine

C17H31N — CID 130374239

IUPAC(7E,12Z)-N,3,7-trimethyltetradeca-7,12-dien-2-imine
SMILESC/C=C\CCC/C=C(\C)CCCC(C)/C(C)=N/C
InChIInChI=1S/C17H31N/c1-6-7-8-9-10-12-15(2)13-11-14-16(3)17(4)18-5/h6-7,12,16H,8-11,13-14H2,1-5H3/b7-6-,15-12+,18-17+
InChIKeyKJPSARBSFSCSFL-XMPYGJGWSA-N
MW249.44 g/mol
LogP5.58
Rot. Bonds9

About (7E,12Z)-N,3,7-trimethyltetradeca-7,12-dien-2-imine

(7E,12Z)-N,3,7-trimethyltetradeca-7,12-dien-2-imine (PubChem CID 130374239) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is (7E,12Z)-N,3,7-trimethyltetradeca-7,12-dien-2-imine.

Molecular Properties

Compound Name(7E,12Z)-N,3,7-trimethyltetradeca-7,12-dien-2-imine
PubChem CID130374239
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name(7E,12Z)-N,3,7-trimethyltetradeca-7,12-dien-2-imine
SMILESC/C=C\CCC/C=C(\C)CCCC(C)/C(C)=N/C
InChIInChI=1S/C17H31N/c1-6-7-8-9-10-12-15(2)13-11-14-16(3)17(4)18-5/h6-7,12,16H,8-11,13-14H2,1-5H3/b7-6-,15-12+,18-17+
InChIKeyKJPSARBSFSCSFL-XMPYGJGWSA-N
XLogP5.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7E,12Z)-N,3,7-trimethyltetradeca-7,12-dien-2-imine?
The IUPAC name of (7E,12Z)-N,3,7-trimethyltetradeca-7,12-dien-2-imine (CID 130374239) is (7E,12Z)-N,3,7-trimethyltetradeca-7,12-dien-2-imine.
What is the SMILES notation for (7E,12Z)-N,3,7-trimethyltetradeca-7,12-dien-2-imine?
The canonical SMILES for (7E,12Z)-N,3,7-trimethyltetradeca-7,12-dien-2-imine is C/C=C\CCC/C=C(\C)CCCC(C)/C(C)=N/C.
What is the InChIKey of (7E,12Z)-N,3,7-trimethyltetradeca-7,12-dien-2-imine?
The InChIKey is KJPSARBSFSCSFL-XMPYGJGWSA-N. The full InChI is InChI=1S/C17H31N/c1-6-7-8-9-10-12-15(2)13-11-14-16(3)17(4)18-5/h6-7,12,16H,8-11,13-14H2,1-5H3/b7-6-,15-12+,18-17+.
What are the key properties of (7E,12Z)-N,3,7-trimethyltetradeca-7,12-dien-2-imine?
(7E,12Z)-N,3,7-trimethyltetradeca-7,12-dien-2-imine has a molecular weight of 249.44 g/mol, XLogP of 5.58, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,12Z)-N,3,7-trimethyltetradeca-7,12-dien-2-imine is sourced from PubChem (CID 130374239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).