2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine

C15H23N — CID 79339514

IUPAC2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine
SMILESCNCC(=Cc1cccc(C)c1C)C(C)C
InChIInChI=1S/C15H23N/c1-11(2)15(10-16-5)9-14-8-6-7-12(3)13(14)4/h6-9,11,16H,10H2,1-5H3
InChIKeyHZYJBPORJFUKHT-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.56
Rot. Bonds4

About 2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine

2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine (PubChem CID 79339514) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine
PubChem CID79339514
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine
SMILESCNCC(=Cc1cccc(C)c1C)C(C)C
InChIInChI=1S/C15H23N/c1-11(2)15(10-16-5)9-14-8-6-7-12(3)13(14)4/h6-9,11,16H,10H2,1-5H3
InChIKeyHZYJBPORJFUKHT-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine
CID 79323692
2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79338600
1-[(Z)-2-(2,3-dimethylphenyl)ethenyl]-2,3-dimethylbenzene
CID 135028757
2-[(E)-3-methyl-2-(methylaminomethyl)but-1-enyl]benzonitrile
CID 107937089
1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene
CID 143027707
N,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine
CID 79339151
2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339685
2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 164584980
2-[(2,3-dimethylphenyl)methylidene]propanedinitrile
CID 130159320
N-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine
CID 79328889
N,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine
CID 79341732
(2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine
CID 112618749

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine (CID 79339514) is 2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine is CNCC(=Cc1cccc(C)c1C)C(C)C.
What is the InChIKey of 2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine?
The InChIKey is HZYJBPORJFUKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11(2)15(10-16-5)9-14-8-6-7-12(3)13(14)4/h6-9,11,16H,10H2,1-5H3.
What are the key properties of 2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine?
2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 79339514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).