(Z)-2-methyl-3-[(2-propan-2-ylphenyl)methylimino]prop-1-en-1-amine

C14H20N2 — CID 177181286

IUPAC(Z)-2-methyl-3-[(2-propan-2-ylphenyl)methylimino]prop-1-en-1-amine
SMILESCC(=C/N)/C=N/Cc1ccccc1C(C)C
InChIInChI=1S/C14H20N2/c1-11(2)14-7-5-4-6-13(14)10-16-9-12(3)8-15/h4-9,11H,10,15H2,1-3H3/b12-8-,16-9+
InChIKeyVTURZESDSVSMHH-OOBCCFMBSA-N
MW216.33 g/mol
LogP3.24
Rot. Bonds4

About (Z)-2-methyl-3-[(2-propan-2-ylphenyl)methylimino]prop-1-en-1-amine

(Z)-2-methyl-3-[(2-propan-2-ylphenyl)methylimino]prop-1-en-1-amine (PubChem CID 177181286) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (Z)-2-methyl-3-[(2-propan-2-ylphenyl)methylimino]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methyl-3-[(2-propan-2-ylphenyl)methylimino]prop-1-en-1-amine
PubChem CID177181286
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(Z)-2-methyl-3-[(2-propan-2-ylphenyl)methylimino]prop-1-en-1-amine
SMILESCC(=C/N)/C=N/Cc1ccccc1C(C)C
InChIInChI=1S/C14H20N2/c1-11(2)14-7-5-4-6-13(14)10-16-9-12(3)8-15/h4-9,11H,10,15H2,1-3H3/b12-8-,16-9+
InChIKeyVTURZESDSVSMHH-OOBCCFMBSA-N
XLogP3.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-2-methyl-3-[(2-propan-2-ylphenyl)methylimino]prop-1-en-1-amine?
The IUPAC name of (Z)-2-methyl-3-[(2-propan-2-ylphenyl)methylimino]prop-1-en-1-amine (CID 177181286) is (Z)-2-methyl-3-[(2-propan-2-ylphenyl)methylimino]prop-1-en-1-amine.
What is the SMILES notation for (Z)-2-methyl-3-[(2-propan-2-ylphenyl)methylimino]prop-1-en-1-amine?
The canonical SMILES for (Z)-2-methyl-3-[(2-propan-2-ylphenyl)methylimino]prop-1-en-1-amine is CC(=C/N)/C=N/Cc1ccccc1C(C)C.
What is the InChIKey of (Z)-2-methyl-3-[(2-propan-2-ylphenyl)methylimino]prop-1-en-1-amine?
The InChIKey is VTURZESDSVSMHH-OOBCCFMBSA-N. The full InChI is InChI=1S/C14H20N2/c1-11(2)14-7-5-4-6-13(14)10-16-9-12(3)8-15/h4-9,11H,10,15H2,1-3H3/b12-8-,16-9+.
What are the key properties of (Z)-2-methyl-3-[(2-propan-2-ylphenyl)methylimino]prop-1-en-1-amine?
(Z)-2-methyl-3-[(2-propan-2-ylphenyl)methylimino]prop-1-en-1-amine has a molecular weight of 216.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-[(2-propan-2-ylphenyl)methylimino]prop-1-en-1-amine is sourced from PubChem (CID 177181286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).