(E)-3-methyl-N-[(E)-1-(3-methylphenyl)propan-2-ylideneamino]butan-2-imine

C15H22N2 — CID 143519317

IUPAC(E)-3-methyl-N-[(E)-1-(3-methylphenyl)propan-2-ylideneamino]butan-2-imine
SMILESC/C(Cc1cccc(C)c1)=N\N=C(/C)C(C)C
InChIInChI=1S/C15H22N2/c1-11(2)14(5)17-16-13(4)10-15-8-6-7-12(3)9-15/h6-9,11H,10H2,1-5H3/b16-13+,17-14+
InChIKeyBQNJDRSXWJTWJR-DISAMGIASA-N
MW230.35 g/mol
LogP4.03
Rot. Bonds4

About (E)-3-methyl-N-[(E)-1-(3-methylphenyl)propan-2-ylideneamino]butan-2-imine

(E)-3-methyl-N-[(E)-1-(3-methylphenyl)propan-2-ylideneamino]butan-2-imine (PubChem CID 143519317) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (E)-3-methyl-N-[(E)-1-(3-methylphenyl)propan-2-ylideneamino]butan-2-imine.

Molecular Properties

Compound Name(E)-3-methyl-N-[(E)-1-(3-methylphenyl)propan-2-ylideneamino]butan-2-imine
PubChem CID143519317
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(E)-3-methyl-N-[(E)-1-(3-methylphenyl)propan-2-ylideneamino]butan-2-imine
SMILESC/C(Cc1cccc(C)c1)=N\N=C(/C)C(C)C
InChIInChI=1S/C15H22N2/c1-11(2)14(5)17-16-13(4)10-15-8-6-7-12(3)9-15/h6-9,11H,10H2,1-5H3/b16-13+,17-14+
InChIKeyBQNJDRSXWJTWJR-DISAMGIASA-N
XLogP4.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
3-methyl-1-(3-methylphenyl)pentan-2-one
CID 62388886
azanium 2-(3-methylphenyl)acetate
CID 141323779
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
4-amino-1-(3-methylphenyl)pentan-2-one
CID 116555932
3-methoxy-1-(3-methylphenyl)butan-2-one
CID 79616168
tert-butyl 2-methyl-4-(3-methylphenyl)-3-oxobutanoate
CID 66337976
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
N-(2-bromopropyl)-2-(3-methylphenyl)acetamide
CID 114308603
2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide
CID 110750502
1-(2-isocyanatopropyl)-3-methylbenzene
CID 55268811
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-N-[(E)-1-(3-methylphenyl)propan-2-ylideneamino]butan-2-imine?
The IUPAC name of (E)-3-methyl-N-[(E)-1-(3-methylphenyl)propan-2-ylideneamino]butan-2-imine (CID 143519317) is (E)-3-methyl-N-[(E)-1-(3-methylphenyl)propan-2-ylideneamino]butan-2-imine.
What is the SMILES notation for (E)-3-methyl-N-[(E)-1-(3-methylphenyl)propan-2-ylideneamino]butan-2-imine?
The canonical SMILES for (E)-3-methyl-N-[(E)-1-(3-methylphenyl)propan-2-ylideneamino]butan-2-imine is C/C(Cc1cccc(C)c1)=N\N=C(/C)C(C)C.
What is the InChIKey of (E)-3-methyl-N-[(E)-1-(3-methylphenyl)propan-2-ylideneamino]butan-2-imine?
The InChIKey is BQNJDRSXWJTWJR-DISAMGIASA-N. The full InChI is InChI=1S/C15H22N2/c1-11(2)14(5)17-16-13(4)10-15-8-6-7-12(3)9-15/h6-9,11H,10H2,1-5H3/b16-13+,17-14+.
What are the key properties of (E)-3-methyl-N-[(E)-1-(3-methylphenyl)propan-2-ylideneamino]butan-2-imine?
(E)-3-methyl-N-[(E)-1-(3-methylphenyl)propan-2-ylideneamino]butan-2-imine has a molecular weight of 230.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N-[(E)-1-(3-methylphenyl)propan-2-ylideneamino]butan-2-imine is sourced from PubChem (CID 143519317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).