1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine

C23H29N — CID 143048599

IUPAC1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine
SMILESC=C(NCc1ccc(C(C)C)cc1)c1ccc(/C=C/C(C)C)cc1
InChIInChI=1S/C23H29N/c1-17(2)6-7-20-8-14-23(15-9-20)19(5)24-16-21-10-12-22(13-11-21)18(3)4/h6-15,17-18,24H,5,16H2,1-4H3/b7-6+
InChIKeyLVHJHTPRZUPVPG-VOTSOKGWSA-N
MW319.49 g/mol
LogP6.24
Rot. Bonds7

About 1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine

1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine (PubChem CID 143048599) has the molecular formula C23H29N and a molecular weight of 319.49 g/mol. Its IUPAC name is 1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine.

Molecular Properties

Compound Name1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine
PubChem CID143048599
Molecular FormulaC23H29N
Molecular Weight319.49 g/mol
Exact Mass319.23
IUPAC Name1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine
SMILESC=C(NCc1ccc(C(C)C)cc1)c1ccc(/C=C/C(C)C)cc1
InChIInChI=1S/C23H29N/c1-17(2)6-7-20-8-14-23(15-9-20)19(5)24-16-21-10-12-22(13-11-21)18(3)4/h6-15,17-18,24H,5,16H2,1-4H3/b7-6+
InChIKeyLVHJHTPRZUPVPG-VOTSOKGWSA-N
XLogP6.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 897847
1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine
CID 143048491
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
N-[(4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194584
N-[(4-cyanophenyl)methyl]-4-propan-2-ylbenzamide
CID 46591553
N'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide
CID 2585461
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 9241150
1-methyl-3-[(4-propan-2-ylphenyl)methyl]thiourea
CID 115591677
methyl 4-[(Z)-3-methylbut-1-enyl]benzoate
CID 11321666
(E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557392
4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 59811276

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine?
The IUPAC name of 1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine (CID 143048599) is 1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine.
What is the SMILES notation for 1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine?
The canonical SMILES for 1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine is C=C(NCc1ccc(C(C)C)cc1)c1ccc(/C=C/C(C)C)cc1.
What is the InChIKey of 1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine?
The InChIKey is LVHJHTPRZUPVPG-VOTSOKGWSA-N. The full InChI is InChI=1S/C23H29N/c1-17(2)6-7-20-8-14-23(15-9-20)19(5)24-16-21-10-12-22(13-11-21)18(3)4/h6-15,17-18,24H,5,16H2,1-4H3/b7-6+.
What are the key properties of 1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine?
1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine has a molecular weight of 319.49 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine is sourced from PubChem (CID 143048599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).