(Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine

C13H20N2 — CID 146290680

IUPAC(Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine
SMILESCCc1cc(C/C(N)=C/CN)ccc1C
InChIInChI=1S/C13H20N2/c1-3-12-8-11(5-4-10(12)2)9-13(15)6-7-14/h4-6,8H,3,7,9,14-15H2,1-2H3/b13-6-
InChIKeyLTOFITUNPFKSFT-MLPAPPSSSA-N
MW204.32 g/mol
LogP1.90
Rot. Bonds4

About (Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine

(Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine (PubChem CID 146290680) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine
PubChem CID146290680
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine
SMILESCCc1cc(C/C(N)=C/CN)ccc1C
InChIInChI=1S/C13H20N2/c1-3-12-8-11(5-4-10(12)2)9-13(15)6-7-14/h4-6,8H,3,7,9,14-15H2,1-2H3/b13-6-
InChIKeyLTOFITUNPFKSFT-MLPAPPSSSA-N
XLogP1.90
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene
CID 144520544
2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene
CID 123325932
3-ethyl-4-methylaniline;hydrochloride
CID 23499109
butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene
CID 143248151
2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine
CID 170100233
2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene
CID 144526244
3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid
CID 84674441
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine
CID 139471599
(E)-1-(3-phenylphenyl)pent-2-en-2-amine
CID 142087219
2-ethyl-1-methyl-4-(4-propylphenyl)benzene
CID 123879424
1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone
CID 159972126

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine?
The IUPAC name of (Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine (CID 146290680) is (Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine.
What is the SMILES notation for (Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine?
The canonical SMILES for (Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine is CCc1cc(C/C(N)=C/CN)ccc1C.
What is the InChIKey of (Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine?
The InChIKey is LTOFITUNPFKSFT-MLPAPPSSSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-12-8-11(5-4-10(12)2)9-13(15)6-7-14/h4-6,8H,3,7,9,14-15H2,1-2H3/b13-6-.
What are the key properties of (Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine?
(Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine has a molecular weight of 204.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine is sourced from PubChem (CID 146290680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).