(Z)-4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine

C14H20N2O — CID 6809323

IUPAC(Z)-4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine
SMILESCCOc1ccc(/N=C(C)/C(C)=C(/C)N)cc1
InChIInChI=1S/C14H20N2O/c1-5-17-14-8-6-13(7-9-14)16-12(4)10(2)11(3)15/h6-9H,5,15H2,1-4H3/b11-10-,16-12+
InChIKeyVBFHPGFMPNJSSJ-JNCCTMNUSA-N
MW232.33 g/mol
LogP3.43
Rot. Bonds4

About (Z)-4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine

(Z)-4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine (PubChem CID 6809323) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (Z)-4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine
PubChem CID6809323
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(Z)-4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine
SMILESCCOc1ccc(/N=C(C)/C(C)=C(/C)N)cc1
InChIInChI=1S/C14H20N2O/c1-5-17-14-8-6-13(7-9-14)16-12(4)10(2)11(3)15/h6-9H,5,15H2,1-4H3/b11-10-,16-12+
InChIKeyVBFHPGFMPNJSSJ-JNCCTMNUSA-N
XLogP3.43
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine?
The IUPAC name of (Z)-4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine (CID 6809323) is (Z)-4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine.
What is the SMILES notation for (Z)-4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine?
The canonical SMILES for (Z)-4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine is CCOc1ccc(/N=C(C)/C(C)=C(/C)N)cc1.
What is the InChIKey of (Z)-4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine?
The InChIKey is VBFHPGFMPNJSSJ-JNCCTMNUSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-17-14-8-6-13(7-9-14)16-12(4)10(2)11(3)15/h6-9H,5,15H2,1-4H3/b11-10-,16-12+.
What are the key properties of (Z)-4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine?
(Z)-4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine has a molecular weight of 232.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-ethoxyphenyl)imino-3-methylpent-2-en-2-amine is sourced from PubChem (CID 6809323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).