(E)-N-ethenoxy-4,4-dimethylpent-1-en-3-imine

C9H15NO — CID 155051861

IUPAC(E)-N-ethenoxy-4,4-dimethylpent-1-en-3-imine
SMILESC=CO/N=C(\C=C)C(C)(C)C
InChIInChI=1S/C9H15NO/c1-6-8(9(3,4)5)10-11-7-2/h6-7H,1-2H2,3-5H3/b10-8+
InChIKeyVQKHSBWQDSXJQG-CSKARUKUSA-N
MW153.22 g/mol
LogP2.73
Rot. Bonds3

About (E)-N-ethenoxy-4,4-dimethylpent-1-en-3-imine

(E)-N-ethenoxy-4,4-dimethylpent-1-en-3-imine (PubChem CID 155051861) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E)-N-ethenoxy-4,4-dimethylpent-1-en-3-imine.

Molecular Properties

Compound Name(E)-N-ethenoxy-4,4-dimethylpent-1-en-3-imine
PubChem CID155051861
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E)-N-ethenoxy-4,4-dimethylpent-1-en-3-imine
SMILESC=CO/N=C(\C=C)C(C)(C)C
InChIInChI=1S/C9H15NO/c1-6-8(9(3,4)5)10-11-7-2/h6-7H,1-2H2,3-5H3/b10-8+
InChIKeyVQKHSBWQDSXJQG-CSKARUKUSA-N
XLogP2.73
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 ≤ 52.73
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethenoxy-2,2-dimethyl-1-silylbutan-1-imine
CID 123969404
(Z)-4,4-dimethyl-N-[(Z)-propylideneamino]pent-1-en-3-imine
CID 156796205
2-methyl-3-methyliminopent-4-en-2-ol
CID 145069918
(Z)-N-ethenyl-2,2-dimethylhex-4-en-3-imine
CID 129035901
tert-butyl prop-2-enoate
CID 158231977
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
2-hydroxypropan-2-yl prop-2-enoate
CID 22726323
ethene;ethenyl 2,2-dimethylpropanoate
CID 159810443
tert-butyl prop-2-enoate;methanol
CID 174833528
4,4-dimethylpent-1-en-3-yl prop-2-enoate
CID 10749625
methyl 2,4,4-trimethyl-3-prop-2-enoyloxypent-2-enoate
CID 175518378
1-[1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 91751167

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenoxy-4,4-dimethylpent-1-en-3-imine?
The IUPAC name of (E)-N-ethenoxy-4,4-dimethylpent-1-en-3-imine (CID 155051861) is (E)-N-ethenoxy-4,4-dimethylpent-1-en-3-imine.
What is the SMILES notation for (E)-N-ethenoxy-4,4-dimethylpent-1-en-3-imine?
The canonical SMILES for (E)-N-ethenoxy-4,4-dimethylpent-1-en-3-imine is C=CO/N=C(\C=C)C(C)(C)C.
What is the InChIKey of (E)-N-ethenoxy-4,4-dimethylpent-1-en-3-imine?
The InChIKey is VQKHSBWQDSXJQG-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-8(9(3,4)5)10-11-7-2/h6-7H,1-2H2,3-5H3/b10-8+.
What are the key properties of (E)-N-ethenoxy-4,4-dimethylpent-1-en-3-imine?
(E)-N-ethenoxy-4,4-dimethylpent-1-en-3-imine has a molecular weight of 153.22 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenoxy-4,4-dimethylpent-1-en-3-imine is sourced from PubChem (CID 155051861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).