(3Z)-N,5-dimethylhexa-3,5-dien-2-imine

C8H13N — CID 89076855

IUPAC(3Z)-N,5-dimethylhexa-3,5-dien-2-imine
SMILESC=C(C)/C=C\C(C)=N\C
InChIInChI=1S/C8H13N/c1-7(2)5-6-8(3)9-4/h5-6H,1H2,2-4H3/b6-5-,9-8+
InChIKeyCHIDBZQOQJJZRR-UEPDSTOUSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds2

About (3Z)-N,5-dimethylhexa-3,5-dien-2-imine

(3Z)-N,5-dimethylhexa-3,5-dien-2-imine (PubChem CID 89076855) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (3Z)-N,5-dimethylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-N,5-dimethylhexa-3,5-dien-2-imine
PubChem CID89076855
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(3Z)-N,5-dimethylhexa-3,5-dien-2-imine
SMILESC=C(C)/C=C\C(C)=N\C
InChIInChI=1S/C8H13N/c1-7(2)5-6-8(3)9-4/h5-6H,1H2,2-4H3/b6-5-,9-8+
InChIKeyCHIDBZQOQJJZRR-UEPDSTOUSA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.21
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 (3Z)-N,5-dimethylhexa-3,5-dien-2-imine?
The IUPAC name of (3Z)-N,5-dimethylhexa-3,5-dien-2-imine (CID 89076855) is (3Z)-N,5-dimethylhexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-N,5-dimethylhexa-3,5-dien-2-imine?
The canonical SMILES for (3Z)-N,5-dimethylhexa-3,5-dien-2-imine is C=C(C)/C=C\C(C)=N\C.
What is the InChIKey of (3Z)-N,5-dimethylhexa-3,5-dien-2-imine?
The InChIKey is CHIDBZQOQJJZRR-UEPDSTOUSA-N. The full InChI is InChI=1S/C8H13N/c1-7(2)5-6-8(3)9-4/h5-6H,1H2,2-4H3/b6-5-,9-8+.
What are the key properties of (3Z)-N,5-dimethylhexa-3,5-dien-2-imine?
(3Z)-N,5-dimethylhexa-3,5-dien-2-imine has a molecular weight of 123.20 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,5-dimethylhexa-3,5-dien-2-imine is sourced from PubChem (CID 89076855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).