(3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine

C11H19N — CID 126639572

IUPAC(3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C(CC)=C(/C)C=C(C)C
InChIInChI=1S/C11H19N/c1-6-11(10(5)12)9(4)7-8(2)3/h7,12H,6H2,1-5H3/b11-9-,12-10+
InChIKeyBDOJLRRXYGBPQK-DSOJMZEYSA-N
MW165.28 g/mol
LogP3.72
Rot. Bonds3

About (3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine

(3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine (PubChem CID 126639572) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine
PubChem CID126639572
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C(CC)=C(/C)C=C(C)C
InChIInChI=1S/C11H19N/c1-6-11(10(5)12)9(4)7-8(2)3/h7,12H,6H2,1-5H3/b11-9-,12-10+
InChIKeyBDOJLRRXYGBPQK-DSOJMZEYSA-N
XLogP3.72
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
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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Related Compounds

(4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene
CID 143323288
(Z)-N'-ethenyl-N-[(3Z)-4-ethyl-5-iminohexa-1,3-dien-3-yl]but-2-enimidamide
CID 176523288
2-iminopentan-3-one;methanol
CID 144635571
(E)-5-methylhept-4-en-3-imine
CID 123846053
(4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene
CID 143801880
3-chloro-2-ethanimidoyl-5-methylhexa-2,4-dienenitrile
CID 123288832
5-methylhexa-1,4-dien-3-imine
CID 130197601
(E)-3-propoxypent-3-en-2-imine
CID 178009158
(2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 142345923
5-chloro-3-methylpent-3-en-2-imine
CID 174617581
2-imino-4-methylpent-3-enoic acid
CID 143316665
1-(4-ethylphenyl)-3-methylbut-2-en-1-imine
CID 167296423

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine?
The IUPAC name of (3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine (CID 126639572) is (3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine?
The canonical SMILES for (3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine is [H]/N=C(C)/C(CC)=C(/C)C=C(C)C.
What is the InChIKey of (3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine?
The InChIKey is BDOJLRRXYGBPQK-DSOJMZEYSA-N. The full InChI is InChI=1S/C11H19N/c1-6-11(10(5)12)9(4)7-8(2)3/h7,12H,6H2,1-5H3/b11-9-,12-10+.
What are the key properties of (3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine?
(3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine has a molecular weight of 165.28 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethyl-4,6-dimethylhepta-3,5-dien-2-imine is sourced from PubChem (CID 126639572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).