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

C10H17N — CID 89321972

IUPAC(3Z)-N-ethyl-3,5-dimethylhexa-3,5-dien-2-imine
SMILESC=C(C)/C=C(C)\C(C)=N\CC
InChIInChI=1S/C10H17N/c1-6-11-10(5)9(4)7-8(2)3/h7H,2,6H2,1,3-5H3/b9-7-,11-10+
InChIKeyZMJKPAMDVIBXKY-NKTIYDDZSA-N
MW151.25 g/mol
LogP2.99
Rot. Bonds3

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

(3Z)-N-ethyl-3,5-dimethylhexa-3,5-dien-2-imine (PubChem CID 89321972) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (3Z)-N-ethyl-3,5-dimethylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-N-ethyl-3,5-dimethylhexa-3,5-dien-2-imine
PubChem CID89321972
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(3Z)-N-ethyl-3,5-dimethylhexa-3,5-dien-2-imine
SMILESC=C(C)/C=C(C)\C(C)=N\CC
InChIInChI=1S/C10H17N/c1-6-11-10(5)9(4)7-8(2)3/h7H,2,6H2,1,3-5H3/b9-7-,11-10+
InChIKeyZMJKPAMDVIBXKY-NKTIYDDZSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.99
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-ethyl-3,5-dimethylhexa-3,5-dien-2-imine?
The IUPAC name of (3Z)-N-ethyl-3,5-dimethylhexa-3,5-dien-2-imine (CID 89321972) is (3Z)-N-ethyl-3,5-dimethylhexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-N-ethyl-3,5-dimethylhexa-3,5-dien-2-imine?
The canonical SMILES for (3Z)-N-ethyl-3,5-dimethylhexa-3,5-dien-2-imine is C=C(C)/C=C(C)\C(C)=N\CC.
What is the InChIKey of (3Z)-N-ethyl-3,5-dimethylhexa-3,5-dien-2-imine?
The InChIKey is ZMJKPAMDVIBXKY-NKTIYDDZSA-N. The full InChI is InChI=1S/C10H17N/c1-6-11-10(5)9(4)7-8(2)3/h7H,2,6H2,1,3-5H3/b9-7-,11-10+.
What are the key properties of (3Z)-N-ethyl-3,5-dimethylhexa-3,5-dien-2-imine?
(3Z)-N-ethyl-3,5-dimethylhexa-3,5-dien-2-imine has a molecular weight of 151.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethyl-3,5-dimethylhexa-3,5-dien-2-imine is sourced from PubChem (CID 89321972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).