N-methoxy-4-methylhepta-4,6-dien-3-imine

C9H15NO — CID 123417580

IUPACN-methoxy-4-methylhepta-4,6-dien-3-imine
SMILESC=CC=C(C)C(CC)=NOC
InChIInChI=1S/C9H15NO/c1-5-7-8(3)9(6-2)10-11-4/h5,7H,1,6H2,2-4H3
InChIKeySVLHEVCAOQBPJE-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.53
Rot. Bonds4

About N-methoxy-4-methylhepta-4,6-dien-3-imine

N-methoxy-4-methylhepta-4,6-dien-3-imine (PubChem CID 123417580) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-methoxy-4-methylhepta-4,6-dien-3-imine.

Molecular Properties

Compound NameN-methoxy-4-methylhepta-4,6-dien-3-imine
PubChem CID123417580
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-methoxy-4-methylhepta-4,6-dien-3-imine
SMILESC=CC=C(C)C(CC)=NOC
InChIInChI=1S/C9H15NO/c1-5-7-8(3)9(6-2)10-11-4/h5,7H,1,6H2,2-4H3
InChIKeySVLHEVCAOQBPJE-UHFFFAOYSA-N
XLogP2.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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(NE)-N-[(5Z,7E)-4-methylidene-7-(trifluoromethyl)nona-5,7-dien-3-ylidene]hydroxylamine
CID 173767921
2-Cyclohexen-1-one, 3-methyl-, O-methyloxime
CID 9603094
N-methoxycyclohepta-3,5-dien-1-imine
CID 10011957
Carbonyl-(methoxyimino)benzene
CID 86164698
[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium
CID 155936514
(E,E)-N-methoxyoct-3-en-2-imine
CID 5371495
3-Hepten-2-one, O-methyloxime
CID 9601360
4-Hexen-3-one, O-methyloxime
CID 9601753
3-Octen-2-one, methyloxime
CID 9602880

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-methylhepta-4,6-dien-3-imine?
The IUPAC name of N-methoxy-4-methylhepta-4,6-dien-3-imine (CID 123417580) is N-methoxy-4-methylhepta-4,6-dien-3-imine.
What is the SMILES notation for N-methoxy-4-methylhepta-4,6-dien-3-imine?
The canonical SMILES for N-methoxy-4-methylhepta-4,6-dien-3-imine is C=CC=C(C)C(CC)=NOC.
What is the InChIKey of N-methoxy-4-methylhepta-4,6-dien-3-imine?
The InChIKey is SVLHEVCAOQBPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-7-8(3)9(6-2)10-11-4/h5,7H,1,6H2,2-4H3.
What are the key properties of N-methoxy-4-methylhepta-4,6-dien-3-imine?
N-methoxy-4-methylhepta-4,6-dien-3-imine has a molecular weight of 153.22 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-methylhepta-4,6-dien-3-imine is sourced from PubChem (CID 123417580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).