(4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine

C9H15NO — CID 123561116

IUPAC(4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine
SMILES[H]/N=C(/C=C(\CC)OC)C(=C)C
InChIInChI=1S/C9H15NO/c1-5-8(11-4)6-9(10)7(2)3/h6,10H,2,5H2,1,3-4H3/b8-6+,10-9-
InChIKeyZWZGVJOZGJIAKX-YGKWUCAESA-N
MW153.22 g/mol
LogP2.52
Rot. Bonds4

About (4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine

(4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine (PubChem CID 123561116) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine.

Molecular Properties

Compound Name(4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine
PubChem CID123561116
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine
SMILES[H]/N=C(/C=C(\CC)OC)C(=C)C
InChIInChI=1S/C9H15NO/c1-5-8(11-4)6-9(10)7(2)3/h6,10H,2,5H2,1,3-4H3/b8-6+,10-9-
InChIKeyZWZGVJOZGJIAKX-YGKWUCAESA-N
XLogP2.52
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-methoxypent-3-en-2-imine
CID 12462133
(Z)-4-methoxy-3-methylpent-3-en-2-imine
CID 12462135
2-Methoxy-5-methyl benzoquinone diimine
CID 20195267
2-Methoxy-3,5-dimethylcyclohexa-2,5-diene-1,4-diimine
CID 23467541
(6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine
CID 90261421
(Z)-5-methoxyhex-4-en-3-imine
CID 90392307
O-[(2E,5E)-4-imino-6-methoxy-5-methylhexa-2,5-dien-2-yl]hydroxylamine
CID 90453822
4-Methoxypent-3-en-2-imine
CID 91319087
(E)-5-methoxyoct-4-en-3-imine
CID 91483796
(E)-3-methoxy-4-methylhex-3-en-2-imine
CID 91549951
(Z)-4-methoxy-5,5-dimethylhex-3-en-2-imine
CID 117717664
(E)-5-methoxyhex-4-en-3-imine
CID 123206559

Frequently Asked Questions

What is the IUPAC name of (4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine?
The IUPAC name of (4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine (CID 123561116) is (4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine.
What is the SMILES notation for (4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine?
The canonical SMILES for (4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine is [H]/N=C(/C=C(\CC)OC)C(=C)C.
What is the InChIKey of (4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine?
The InChIKey is ZWZGVJOZGJIAKX-YGKWUCAESA-N. The full InChI is InChI=1S/C9H15NO/c1-5-8(11-4)6-9(10)7(2)3/h6,10H,2,5H2,1,3-4H3/b8-6+,10-9-.
What are the key properties of (4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine?
(4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine has a molecular weight of 153.22 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine is sourced from PubChem (CID 123561116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).