(4E)-4-benzylidene-3-ethylhex-1-en-2-amine

C15H21N — CID 138711424

IUPAC(4E)-4-benzylidene-3-ethylhex-1-en-2-amine
SMILESC=C(N)C(CC)/C(=C/c1ccccc1)CC
InChIInChI=1S/C15H21N/c1-4-14(15(5-2)12(3)16)11-13-9-7-6-8-10-13/h6-11,15H,3-5,16H2,1-2H3/b14-11+
InChIKeyXZPNAASGXUDCMK-SDNWHVSQSA-N
MW215.34 g/mol
LogP3.98
Rot. Bonds5

About (4E)-4-benzylidene-3-ethylhex-1-en-2-amine

(4E)-4-benzylidene-3-ethylhex-1-en-2-amine (PubChem CID 138711424) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (4E)-4-benzylidene-3-ethylhex-1-en-2-amine.

Molecular Properties

Compound Name(4E)-4-benzylidene-3-ethylhex-1-en-2-amine
PubChem CID138711424
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(4E)-4-benzylidene-3-ethylhex-1-en-2-amine
SMILESC=C(N)C(CC)/C(=C/c1ccccc1)CC
InChIInChI=1S/C15H21N/c1-4-14(15(5-2)12(3)16)11-13-9-7-6-8-10-13/h6-11,15H,3-5,16H2,1-2H3/b14-11+
InChIKeyXZPNAASGXUDCMK-SDNWHVSQSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4E)-4-benzylidene-3-ethylhex-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-3-benzylidenepentan-2-ol
CID 135080947
2-benzylidene-3-methylpentan-1-amine
CID 154441203
(4-methyl-2-propan-2-ylhex-1-enyl)benzene
CID 90737119
2-benzylidene-3-ethylbutanedioic acid
CID 54436000
[(2E)-2-benzylidene-3-methylpentyl]-triethylsilane
CID 102146594
[(E)-2-bromobut-1-enyl]benzene
CID 15418577
[(E)-2,3,5-trimethylhept-1-enyl]benzene
CID 102271069
2-benzylidene-N-propan-2-ylbutan-1-amine
CID 79329110
(Z)-3-(anilinomethyl)-4-phenylbut-3-en-2-ol
CID 177412233
N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
CID 75598908
(2E)-2-benzylidene-3-methylbutanamide
CID 20836396
bromo 2-benzylidene-3-methylpentanoate
CID 174576332

Frequently Asked Questions

What is the IUPAC name of (4E)-4-benzylidene-3-ethylhex-1-en-2-amine?
The IUPAC name of (4E)-4-benzylidene-3-ethylhex-1-en-2-amine (CID 138711424) is (4E)-4-benzylidene-3-ethylhex-1-en-2-amine.
What is the SMILES notation for (4E)-4-benzylidene-3-ethylhex-1-en-2-amine?
The canonical SMILES for (4E)-4-benzylidene-3-ethylhex-1-en-2-amine is C=C(N)C(CC)/C(=C/c1ccccc1)CC.
What is the InChIKey of (4E)-4-benzylidene-3-ethylhex-1-en-2-amine?
The InChIKey is XZPNAASGXUDCMK-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H21N/c1-4-14(15(5-2)12(3)16)11-13-9-7-6-8-10-13/h6-11,15H,3-5,16H2,1-2H3/b14-11+.
What are the key properties of (4E)-4-benzylidene-3-ethylhex-1-en-2-amine?
(4E)-4-benzylidene-3-ethylhex-1-en-2-amine has a molecular weight of 215.34 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-benzylidene-3-ethylhex-1-en-2-amine is sourced from PubChem (CID 138711424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).