(Z,2E)-N-[(Z)-[(Z)-hex-4-en-3-ylidene]amino]-2,5-dimethylhexa-2,4-dien-1-imine

C14H22N2 — CID 123467800

IUPAC(Z,2E)-N-[(Z)-[(Z)-hex-4-en-3-ylidene]amino]-2,5-dimethylhexa-2,4-dien-1-imine
SMILESC/C=C\C(CC)=N/N=C\C(C)=C\C=C(C)C
InChIInChI=1S/C14H22N2/c1-6-8-14(7-2)16-15-11-13(5)10-9-12(3)4/h6,8-11H,7H2,1-5H3/b8-6-,13-10+,15-11-,16-14-
InChIKeyDAJDBPAGNUJTTF-UQSXUTTASA-N
MW218.34 g/mol
LogP4.31
Rot. Bonds5

About (Z,2E)-N-[(Z)-[(Z)-hex-4-en-3-ylidene]amino]-2,5-dimethylhexa-2,4-dien-1-imine

(Z,2E)-N-[(Z)-[(Z)-hex-4-en-3-ylidene]amino]-2,5-dimethylhexa-2,4-dien-1-imine (PubChem CID 123467800) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (Z,2E)-N-[(Z)-[(Z)-hex-4-en-3-ylidene]amino]-2,5-dimethylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(Z,2E)-N-[(Z)-[(Z)-hex-4-en-3-ylidene]amino]-2,5-dimethylhexa-2,4-dien-1-imine
PubChem CID123467800
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(Z,2E)-N-[(Z)-[(Z)-hex-4-en-3-ylidene]amino]-2,5-dimethylhexa-2,4-dien-1-imine
SMILESC/C=C\C(CC)=N/N=C\C(C)=C\C=C(C)C
InChIInChI=1S/C14H22N2/c1-6-8-14(7-2)16-15-11-13(5)10-9-12(3)4/h6,8-11H,7H2,1-5H3/b8-6-,13-10+,15-11-,16-14-
InChIKeyDAJDBPAGNUJTTF-UQSXUTTASA-N
XLogP4.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-N-[(Z)-[(Z)-hex-4-en-3-ylidene]amino]-2,5-dimethylhexa-2,4-dien-1-imine?
The IUPAC name of (Z,2E)-N-[(Z)-[(Z)-hex-4-en-3-ylidene]amino]-2,5-dimethylhexa-2,4-dien-1-imine (CID 123467800) is (Z,2E)-N-[(Z)-[(Z)-hex-4-en-3-ylidene]amino]-2,5-dimethylhexa-2,4-dien-1-imine.
What is the SMILES notation for (Z,2E)-N-[(Z)-[(Z)-hex-4-en-3-ylidene]amino]-2,5-dimethylhexa-2,4-dien-1-imine?
The canonical SMILES for (Z,2E)-N-[(Z)-[(Z)-hex-4-en-3-ylidene]amino]-2,5-dimethylhexa-2,4-dien-1-imine is C/C=C\C(CC)=N/N=C\C(C)=C\C=C(C)C.
What is the InChIKey of (Z,2E)-N-[(Z)-[(Z)-hex-4-en-3-ylidene]amino]-2,5-dimethylhexa-2,4-dien-1-imine?
The InChIKey is DAJDBPAGNUJTTF-UQSXUTTASA-N. The full InChI is InChI=1S/C14H22N2/c1-6-8-14(7-2)16-15-11-13(5)10-9-12(3)4/h6,8-11H,7H2,1-5H3/b8-6-,13-10+,15-11-,16-14-.
What are the key properties of (Z,2E)-N-[(Z)-[(Z)-hex-4-en-3-ylidene]amino]-2,5-dimethylhexa-2,4-dien-1-imine?
(Z,2E)-N-[(Z)-[(Z)-hex-4-en-3-ylidene]amino]-2,5-dimethylhexa-2,4-dien-1-imine has a molecular weight of 218.34 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N-[(Z)-[(Z)-hex-4-en-3-ylidene]amino]-2,5-dimethylhexa-2,4-dien-1-imine is sourced from PubChem (CID 123467800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).