(E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine

C13H17NO — CID 14465614

IUPAC(E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine
SMILESCC/C=C(C)/C=N/c1ccc(OC)cc1
InChIInChI=1S/C13H17NO/c1-4-5-11(2)10-14-12-6-8-13(15-3)9-7-12/h5-10H,4H2,1-3H3/b11-5+,14-10+
InChIKeySXNNIURJNLVAJJ-LVZXCCAFSA-N
MW203.28 g/mol
LogP3.75
Rot. Bonds4

About (E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine

(E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine (PubChem CID 14465614) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine
PubChem CID14465614
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine
SMILESCC/C=C(C)/C=N/c1ccc(OC)cc1
InChIInChI=1S/C13H17NO/c1-4-5-11(2)10-14-12-6-8-13(15-3)9-7-12/h5-10H,4H2,1-3H3/b11-5+,14-10+
InChIKeySXNNIURJNLVAJJ-LVZXCCAFSA-N
XLogP3.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)iminoacetic acid
CID 21289850
2-(4-methoxyphenyl)iminoacetate
CID 22600240
ethyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoate
CID 136799679
methyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoate
CID 135500470
3-amino-2-[(4-methoxyphenyl)iminomethyl]but-2-enoic acid
CID 147710768
N-(4-methoxyphenyl)butan-2-imine
CID 15683591
tert-butyl 2-(4-methoxyphenyl)iminoacetate
CID 10879093
ethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate
CID 135907083
3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481
N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
CID 5197614
ethyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]-3-phenylprop-2-enoate
CID 149163330
ethane;methyl N-(4-methoxyphenyl)methanimidothioate
CID 143173626

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine?
The IUPAC name of (E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine (CID 14465614) is (E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine.
What is the SMILES notation for (E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine?
The canonical SMILES for (E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine is CC/C=C(C)/C=N/c1ccc(OC)cc1.
What is the InChIKey of (E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine?
The InChIKey is SXNNIURJNLVAJJ-LVZXCCAFSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-5-11(2)10-14-12-6-8-13(15-3)9-7-12/h5-10H,4H2,1-3H3/b11-5+,14-10+.
What are the key properties of (E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine?
(E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine has a molecular weight of 203.28 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine is sourced from PubChem (CID 14465614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).