(Z)-4-methoxy-N,3-dimethylpent-3-en-2-imine

C8H15NO — CID 20682781

IUPAC(Z)-4-methoxy-N,3-dimethylpent-3-en-2-imine
SMILESC/N=C(C)/C(C)=C(/C)OC
InChIInChI=1S/C8H15NO/c1-6(7(2)9-4)8(3)10-5/h1-5H3/b8-6-,9-7+
InChIKeyXEBJCELQIAGPOB-MKKAVFGOSA-N
MW141.21 g/mol
LogP2.02
Rot. Bonds2

About (Z)-4-methoxy-N,3-dimethylpent-3-en-2-imine

(Z)-4-methoxy-N,3-dimethylpent-3-en-2-imine (PubChem CID 20682781) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (Z)-4-methoxy-N,3-dimethylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-4-methoxy-N,3-dimethylpent-3-en-2-imine
PubChem CID20682781
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(Z)-4-methoxy-N,3-dimethylpent-3-en-2-imine
SMILESC/N=C(C)/C(C)=C(/C)OC
InChIInChI=1S/C8H15NO/c1-6(7(2)9-4)8(3)10-5/h1-5H3/b8-6-,9-7+
InChIKeyXEBJCELQIAGPOB-MKKAVFGOSA-N
XLogP2.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.02
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'}

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Related Compounds

(Z)-4-methoxy-3-methylpent-3-en-2-imine
CID 12462135
2,2,4,5,6-Pentamethyl-1,3-oxazine
CID 20480855
(Z)-3-methyl-4-methyliminopent-2-en-2-olate
CID 20584277
4-propan-2-yl-5-propan-2-ylidene-2H-1,3-oxazole
CID 58926427
(E)-4-methoxy-N-methylhex-3-en-2-imine
CID 123311460
(E)-3-methoxy-N,2-dimethylpent-2-en-1-imine
CID 123630207
3-Ethyl-4-methoxypent-3-en-2-imine
CID 123969221
4,5,6-trimethyl-2H-1,3-oxazine
CID 161812787
5-Methoxy-4,6-dimethyl-2,3-dihydropyridine
CID 163985804
(2E)-2-(1-methoxyethylidene)-N-methylcyclohexan-1-imine
CID 141808320

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methoxy-N,3-dimethylpent-3-en-2-imine?
The IUPAC name of (Z)-4-methoxy-N,3-dimethylpent-3-en-2-imine (CID 20682781) is (Z)-4-methoxy-N,3-dimethylpent-3-en-2-imine.
What is the SMILES notation for (Z)-4-methoxy-N,3-dimethylpent-3-en-2-imine?
The canonical SMILES for (Z)-4-methoxy-N,3-dimethylpent-3-en-2-imine is C/N=C(C)/C(C)=C(/C)OC.
What is the InChIKey of (Z)-4-methoxy-N,3-dimethylpent-3-en-2-imine?
The InChIKey is XEBJCELQIAGPOB-MKKAVFGOSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(7(2)9-4)8(3)10-5/h1-5H3/b8-6-,9-7+.
What are the key properties of (Z)-4-methoxy-N,3-dimethylpent-3-en-2-imine?
(Z)-4-methoxy-N,3-dimethylpent-3-en-2-imine has a molecular weight of 141.21 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxy-N,3-dimethylpent-3-en-2-imine is sourced from PubChem (CID 20682781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).