(Z)-N-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]hex-3-en-2-imine

C14H23N — CID 123306064

IUPAC(Z)-N-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]hex-3-en-2-imine
SMILESC/C=C(\C=C/C(C)C)/N=C(C)/C=C\CC
InChIInChI=1S/C14H23N/c1-6-8-9-13(5)15-14(7-2)11-10-12(3)4/h7-12H,6H2,1-5H3/b9-8-,11-10-,14-7+,15-13+
InChIKeyXKZNRPWSMUKFHQ-XKARHKNCSA-N
MW205.34 g/mol
LogP4.53
Rot. Bonds5

About (Z)-N-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]hex-3-en-2-imine

(Z)-N-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]hex-3-en-2-imine (PubChem CID 123306064) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (Z)-N-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]hex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]hex-3-en-2-imine
PubChem CID123306064
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(Z)-N-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]hex-3-en-2-imine
SMILESC/C=C(\C=C/C(C)C)/N=C(C)/C=C\CC
InChIInChI=1S/C14H23N/c1-6-8-9-13(5)15-14(7-2)11-10-12(3)4/h7-12H,6H2,1-5H3/b9-8-,11-10-,14-7+,15-13+
InChIKeyXKZNRPWSMUKFHQ-XKARHKNCSA-N
XLogP4.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.53
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 (Z)-N-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]hex-3-en-2-imine?
The IUPAC name of (Z)-N-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]hex-3-en-2-imine (CID 123306064) is (Z)-N-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]hex-3-en-2-imine.
What is the SMILES notation for (Z)-N-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]hex-3-en-2-imine?
The canonical SMILES for (Z)-N-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]hex-3-en-2-imine is C/C=C(\C=C/C(C)C)/N=C(C)/C=C\CC.
What is the InChIKey of (Z)-N-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]hex-3-en-2-imine?
The InChIKey is XKZNRPWSMUKFHQ-XKARHKNCSA-N. The full InChI is InChI=1S/C14H23N/c1-6-8-9-13(5)15-14(7-2)11-10-12(3)4/h7-12H,6H2,1-5H3/b9-8-,11-10-,14-7+,15-13+.
What are the key properties of (Z)-N-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]hex-3-en-2-imine?
(Z)-N-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]hex-3-en-2-imine has a molecular weight of 205.34 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]hex-3-en-2-imine is sourced from PubChem (CID 123306064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).