(E)-N-benzyl-3-(4-butylphenyl)-N-ethylbut-2-en-1-amine

C23H31N — CID 155084933

IUPAC(E)-N-benzyl-3-(4-butylphenyl)-N-ethylbut-2-en-1-amine
SMILESCCCCc1ccc(/C(C)=C/CN(CC)Cc2ccccc2)cc1
InChIInChI=1S/C23H31N/c1-4-6-10-21-13-15-23(16-14-21)20(3)17-18-24(5-2)19-22-11-8-7-9-12-22/h7-9,11-17H,4-6,10,18-19H2,1-3H3/b20-17+
InChIKeyKDTBQEVNDBCMMU-LVZFUZTISA-N
MW321.51 g/mol
LogP5.95
Rot. Bonds9

About (E)-N-benzyl-3-(4-butylphenyl)-N-ethylbut-2-en-1-amine

(E)-N-benzyl-3-(4-butylphenyl)-N-ethylbut-2-en-1-amine (PubChem CID 155084933) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is (E)-N-benzyl-3-(4-butylphenyl)-N-ethylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-benzyl-3-(4-butylphenyl)-N-ethylbut-2-en-1-amine
PubChem CID155084933
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name(E)-N-benzyl-3-(4-butylphenyl)-N-ethylbut-2-en-1-amine
SMILESCCCCc1ccc(/C(C)=C/CN(CC)Cc2ccccc2)cc1
InChIInChI=1S/C23H31N/c1-4-6-10-21-13-15-23(16-14-21)20(3)17-18-24(5-2)19-22-11-8-7-9-12-22/h7-9,11-17H,4-6,10,18-19H2,1-3H3/b20-17+
InChIKeyKDTBQEVNDBCMMU-LVZFUZTISA-N
XLogP5.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(E)-5-phenylhex-4-enyl]benzene
CID 14767514
butylbenzene;hydroxylamine
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CID 174855522
1-butyl-4-penta-2,4-dien-2-ylbenzene
CID 123525800
butylbenzene;carbonic acid
CID 158278492
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031
butylbenzene;propylbenzene
CID 142022125
4-[2-[benzyl(ethyl)amino]ethyl]phenol
CID 82187934
3-[4-(diethylaminomethyl)phenyl]propan-1-ol
CID 117316981
1-butyl-4-phenylbenzene;ethane
CID 143743409
hexylbenzene;hydrogen peroxide
CID 90001206
N-benzyl-N-ethylethanamine;ethene
CID 174895763

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-(4-butylphenyl)-N-ethylbut-2-en-1-amine?
The IUPAC name of (E)-N-benzyl-3-(4-butylphenyl)-N-ethylbut-2-en-1-amine (CID 155084933) is (E)-N-benzyl-3-(4-butylphenyl)-N-ethylbut-2-en-1-amine.
What is the SMILES notation for (E)-N-benzyl-3-(4-butylphenyl)-N-ethylbut-2-en-1-amine?
The canonical SMILES for (E)-N-benzyl-3-(4-butylphenyl)-N-ethylbut-2-en-1-amine is CCCCc1ccc(/C(C)=C/CN(CC)Cc2ccccc2)cc1.
What is the InChIKey of (E)-N-benzyl-3-(4-butylphenyl)-N-ethylbut-2-en-1-amine?
The InChIKey is KDTBQEVNDBCMMU-LVZFUZTISA-N. The full InChI is InChI=1S/C23H31N/c1-4-6-10-21-13-15-23(16-14-21)20(3)17-18-24(5-2)19-22-11-8-7-9-12-22/h7-9,11-17H,4-6,10,18-19H2,1-3H3/b20-17+.
What are the key properties of (E)-N-benzyl-3-(4-butylphenyl)-N-ethylbut-2-en-1-amine?
(E)-N-benzyl-3-(4-butylphenyl)-N-ethylbut-2-en-1-amine has a molecular weight of 321.51 g/mol, XLogP of 5.95, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(4-butylphenyl)-N-ethylbut-2-en-1-amine is sourced from PubChem (CID 155084933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).