(E)-2,3-dimethyl-N-(methylideneamino)-1-phenylbut-1-en-1-amine

C13H18N2 — CID 156522918

IUPAC(E)-2,3-dimethyl-N-(methylideneamino)-1-phenylbut-1-en-1-amine
SMILESC=NN/C(=C(\C)C(C)C)c1ccccc1
InChIInChI=1S/C13H18N2/c1-10(2)11(3)13(15-14-4)12-8-6-5-7-9-12/h5-10,15H,4H2,1-3H3/b13-11+
InChIKeyMZIUWDGEYWHXAA-ACCUITESSA-N
MW202.30 g/mol
LogP3.28
Rot. Bonds4

About (E)-2,3-dimethyl-N-(methylideneamino)-1-phenylbut-1-en-1-amine

(E)-2,3-dimethyl-N-(methylideneamino)-1-phenylbut-1-en-1-amine (PubChem CID 156522918) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (E)-2,3-dimethyl-N-(methylideneamino)-1-phenylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-2,3-dimethyl-N-(methylideneamino)-1-phenylbut-1-en-1-amine
PubChem CID156522918
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(E)-2,3-dimethyl-N-(methylideneamino)-1-phenylbut-1-en-1-amine
SMILESC=NN/C(=C(\C)C(C)C)c1ccccc1
InChIInChI=1S/C13H18N2/c1-10(2)11(3)13(15-14-4)12-8-6-5-7-9-12/h5-10,15H,4H2,1-3H3/b13-11+
InChIKeyMZIUWDGEYWHXAA-ACCUITESSA-N
XLogP3.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
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

(2,3-dimethyl-1-phenylbut-1-enyl)benzene
CID 15438795
[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660
2-methyl-1-phenylpropan-1-one;2-methylprop-2-enoic acid
CID 175602127
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
ethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide
CID 145436814
2-methyl-1-phenylpropan-1-one;1-phenylethanone
CID 162124258
2-(methylideneamino)propyl benzoate
CID 175865411
1-[(E)-2,3-dimethyl-1-phenylbut-1-enyl]-2-ethenylbenzene
CID 156896551
methyl (Z)-3-phenyl-2-propan-2-ylbut-2-enoate
CID 138976651
3-methyl-4-phenylpent-4-en-2-one
CID 130028619
ethane;3-methyl-2-methylidene-1-phenylbutan-1-one
CID 91407389
benzamide;2,3-dimethylbutane
CID 162214835

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-dimethyl-N-(methylideneamino)-1-phenylbut-1-en-1-amine?
The IUPAC name of (E)-2,3-dimethyl-N-(methylideneamino)-1-phenylbut-1-en-1-amine (CID 156522918) is (E)-2,3-dimethyl-N-(methylideneamino)-1-phenylbut-1-en-1-amine.
What is the SMILES notation for (E)-2,3-dimethyl-N-(methylideneamino)-1-phenylbut-1-en-1-amine?
The canonical SMILES for (E)-2,3-dimethyl-N-(methylideneamino)-1-phenylbut-1-en-1-amine is C=NN/C(=C(\C)C(C)C)c1ccccc1.
What is the InChIKey of (E)-2,3-dimethyl-N-(methylideneamino)-1-phenylbut-1-en-1-amine?
The InChIKey is MZIUWDGEYWHXAA-ACCUITESSA-N. The full InChI is InChI=1S/C13H18N2/c1-10(2)11(3)13(15-14-4)12-8-6-5-7-9-12/h5-10,15H,4H2,1-3H3/b13-11+.
What are the key properties of (E)-2,3-dimethyl-N-(methylideneamino)-1-phenylbut-1-en-1-amine?
(E)-2,3-dimethyl-N-(methylideneamino)-1-phenylbut-1-en-1-amine has a molecular weight of 202.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-dimethyl-N-(methylideneamino)-1-phenylbut-1-en-1-amine is sourced from PubChem (CID 156522918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).