1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine

C16H23N — CID 143048491

IUPAC1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine
SMILESC=C(NCC)c1ccc(/C=C/C(C)(C)C)cc1
InChIInChI=1S/C16H23N/c1-6-17-13(2)15-9-7-14(8-10-15)11-12-16(3,4)5/h7-12,17H,2,6H2,1,3-5H3/b12-11+
InChIKeyDSOSEOLINPUOOB-VAWYXSNFSA-N
MW229.37 g/mol
LogP4.33
Rot. Bonds4

About 1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine

1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine (PubChem CID 143048491) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine.

Molecular Properties

Compound Name1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine
PubChem CID143048491
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine
SMILESC=C(NCC)c1ccc(/C=C/C(C)(C)C)cc1
InChIInChI=1S/C16H23N/c1-6-17-13(2)15-9-7-14(8-10-15)11-12-16(3,4)5/h7-12,17H,2,6H2,1,3-5H3/b12-11+
InChIKeyDSOSEOLINPUOOB-VAWYXSNFSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene
CID 143048461
N-ethyl-1-(4-methanimidoylphenyl)ethenamine
CID 142184056
N-ethyl-1-(4-ethylphenyl)ethenamine
CID 89105478
(3E,5E)-6-chloro-N-[1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]ethenyl]hepta-3,5-dien-1-yn-3-amine
CID 143048407
N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide
CID 72568780
N-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide
CID 85424416
1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 22712636
1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine
CID 143048599
3,3-dimethylbut-1-enylbenzene;2-methylidenebutanoic acid
CID 122506202
ethane;(E)-N-ethyl-2-[4-[1-(ethylamino)ethenyl]phenyl]-N-methylprop-1-en-1-amine
CID 178020123
2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine
CID 143048623
4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 59811458

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine?
The IUPAC name of 1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine (CID 143048491) is 1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine.
What is the SMILES notation for 1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine?
The canonical SMILES for 1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine is C=C(NCC)c1ccc(/C=C/C(C)(C)C)cc1.
What is the InChIKey of 1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine?
The InChIKey is DSOSEOLINPUOOB-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H23N/c1-6-17-13(2)15-9-7-14(8-10-15)11-12-16(3,4)5/h7-12,17H,2,6H2,1,3-5H3/b12-11+.
What are the key properties of 1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine?
1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine has a molecular weight of 229.37 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine is sourced from PubChem (CID 143048491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).