(E)-3,3-dimethyl-1-phenylbut-1-en-1-amine

C12H17N — CID 67619754

IUPAC(E)-3,3-dimethyl-1-phenylbut-1-en-1-amine
SMILESCC(C)(C)/C=C(/N)c1ccccc1
InChIInChI=1S/C12H17N/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h4-9H,13H2,1-3H3/b11-9+
InChIKeyILLFFMAEJLLCEZ-PKNBQFBNSA-N
MW175.28 g/mol
LogP3.03
Rot. Bonds1

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

(E)-3,3-dimethyl-1-phenylbut-1-en-1-amine (PubChem CID 67619754) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (E)-3,3-dimethyl-1-phenylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-3,3-dimethyl-1-phenylbut-1-en-1-amine
PubChem CID67619754
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(E)-3,3-dimethyl-1-phenylbut-1-en-1-amine
SMILESCC(C)(C)/C=C(/N)c1ccccc1
InChIInChI=1S/C12H17N/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h4-9H,13H2,1-3H3/b11-9+
InChIKeyILLFFMAEJLLCEZ-PKNBQFBNSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4,4-diphenylbut-3-en-2-amine
CID 11118093
(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine
CID 143300629
(Z)-4-amino-2-oxo-4-phenylbut-3-enamide
CID 164569875
dimethyl 2-[(Z)-3,3-dimethyl-1-phenylbut-1-enyl]propanedioate
CID 71732452
(Z)-2-methylsulfonyl-1-phenylethenamine
CID 13299506
(Z)-1-phenylpent-1-en-1-amine
CID 22065568
3-amino-3-phenylprop-2-enethioamide
CID 71410978
(1Z,3E)-3-tert-butyl-1-phenylhepta-1,3-dien-1-amine
CID 145094383
(Z)-1,3-diphenylbut-1-en-1-amine
CID 142293651
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
(3,3-difluoro-1-phenylbut-1-enyl)benzene
CID 174901374
1-phenyl-3-(trifluoromethylimino)but-1-en-1-amine
CID 152820885

Frequently Asked Questions

What is the IUPAC name of (E)-3,3-dimethyl-1-phenylbut-1-en-1-amine?
The IUPAC name of (E)-3,3-dimethyl-1-phenylbut-1-en-1-amine (CID 67619754) is (E)-3,3-dimethyl-1-phenylbut-1-en-1-amine.
What is the SMILES notation for (E)-3,3-dimethyl-1-phenylbut-1-en-1-amine?
The canonical SMILES for (E)-3,3-dimethyl-1-phenylbut-1-en-1-amine is CC(C)(C)/C=C(/N)c1ccccc1.
What is the InChIKey of (E)-3,3-dimethyl-1-phenylbut-1-en-1-amine?
The InChIKey is ILLFFMAEJLLCEZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H17N/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h4-9H,13H2,1-3H3/b11-9+.
What are the key properties of (E)-3,3-dimethyl-1-phenylbut-1-en-1-amine?
(E)-3,3-dimethyl-1-phenylbut-1-en-1-amine has a molecular weight of 175.28 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3-dimethyl-1-phenylbut-1-en-1-amine is sourced from PubChem (CID 67619754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).