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

C9H15NO — CID 143063364

IUPAC(3E,5E)-3-methoxy-N-methylhepta-3,5-dien-2-imine
SMILESC/C=C/C=C(OC)\C(C)=N\C
InChIInChI=1S/C9H15NO/c1-5-6-7-9(11-4)8(2)10-3/h5-7H,1-4H3/b6-5+,9-7+,10-8+
InChIKeyTYFKHHIQKMKFTD-NRIIQWGUSA-N
MW153.22 g/mol
LogP2.18
Rot. Bonds3

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

(3E,5E)-3-methoxy-N-methylhepta-3,5-dien-2-imine (PubChem CID 143063364) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3E,5E)-3-methoxy-N-methylhepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E,5E)-3-methoxy-N-methylhepta-3,5-dien-2-imine
PubChem CID143063364
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3E,5E)-3-methoxy-N-methylhepta-3,5-dien-2-imine
SMILESC/C=C/C=C(OC)\C(C)=N\C
InChIInChI=1S/C9H15NO/c1-5-6-7-9(11-4)8(2)10-3/h5-7H,1-4H3/b6-5+,9-7+,10-8+
InChIKeyTYFKHHIQKMKFTD-NRIIQWGUSA-N
XLogP2.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-Methoxycyclohepta-2,4,6-trien-1-imine
CID 10986283
(E)-4-methoxy-N-methylpent-3-en-2-imine
CID 53982430
(Z)-4-methoxy-N-methylpent-3-en-2-imine
CID 59782201
2H-cyclohepta[d][1,3]oxazole
CID 70362158
4-methoxy-N-methylpent-3-en-2-imine
CID 76089775
(E)-3-methoxy-2-N-methylhex-3-ene-2,5-diimine
CID 89591064
(E)-4-methoxy-N-methylhex-3-en-2-imine
CID 123311460
(3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine
CID 123834616
2-methoxy-N-methylcyclohepta-2,4-dien-1-imine
CID 123892133
(5E)-4-methyl-5-(3-methylbut-2-enylidene)-2H-1,3-oxazole
CID 123968802
6-Ethenyl-5-methoxy-2,3-dihydropyridine
CID 140784052
ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine
CID 142313444

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3-methoxy-N-methylhepta-3,5-dien-2-imine?
The IUPAC name of (3E,5E)-3-methoxy-N-methylhepta-3,5-dien-2-imine (CID 143063364) is (3E,5E)-3-methoxy-N-methylhepta-3,5-dien-2-imine.
What is the SMILES notation for (3E,5E)-3-methoxy-N-methylhepta-3,5-dien-2-imine?
The canonical SMILES for (3E,5E)-3-methoxy-N-methylhepta-3,5-dien-2-imine is C/C=C/C=C(OC)\C(C)=N\C.
What is the InChIKey of (3E,5E)-3-methoxy-N-methylhepta-3,5-dien-2-imine?
The InChIKey is TYFKHHIQKMKFTD-NRIIQWGUSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-6-7-9(11-4)8(2)10-3/h5-7H,1-4H3/b6-5+,9-7+,10-8+.
What are the key properties of (3E,5E)-3-methoxy-N-methylhepta-3,5-dien-2-imine?
(3E,5E)-3-methoxy-N-methylhepta-3,5-dien-2-imine has a molecular weight of 153.22 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3-methoxy-N-methylhepta-3,5-dien-2-imine is sourced from PubChem (CID 143063364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).