ethane;(E)-N-ethyl-2-[4-[1-(ethylamino)ethenyl]phenyl]-N-methylprop-1-en-1-amine

C18H30N2 — CID 178020123

IUPACethane;(E)-N-ethyl-2-[4-[1-(ethylamino)ethenyl]phenyl]-N-methylprop-1-en-1-amine
SMILESC=C(NCC)c1ccc(/C(C)=C/N(C)CC)cc1.CC
InChIInChI=1S/C16H24N2.C2H6/c1-6-17-14(4)16-10-8-15(9-11-16)13(3)12-18(5)7-2;1-2/h8-12,17H,4,6-7H2,1-3,5H3;1-2H3/b13-12+;
InChIKeyCJCDCIBQPJCVMM-UEIGIMKUSA-N
MW274.45 g/mol
LogP4.61
Rot. Bonds6

About ethane;(E)-N-ethyl-2-[4-[1-(ethylamino)ethenyl]phenyl]-N-methylprop-1-en-1-amine

ethane;(E)-N-ethyl-2-[4-[1-(ethylamino)ethenyl]phenyl]-N-methylprop-1-en-1-amine (PubChem CID 178020123) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is ethane;(E)-N-ethyl-2-[4-[1-(ethylamino)ethenyl]phenyl]-N-methylprop-1-en-1-amine.

Molecular Properties

Compound Nameethane;(E)-N-ethyl-2-[4-[1-(ethylamino)ethenyl]phenyl]-N-methylprop-1-en-1-amine
PubChem CID178020123
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Nameethane;(E)-N-ethyl-2-[4-[1-(ethylamino)ethenyl]phenyl]-N-methylprop-1-en-1-amine
SMILESC=C(NCC)c1ccc(/C(C)=C/N(C)CC)cc1.CC
InChIInChI=1S/C16H24N2.C2H6/c1-6-17-14(4)16-10-8-15(9-11-16)13(3)12-18(5)7-2;1-2/h8-12,17H,4,6-7H2,1-3,5H3;1-2H3/b13-12+;
InChIKeyCJCDCIBQPJCVMM-UEIGIMKUSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-ethylphenyl)ethenamine
CID 89105478
N-ethyl-1-(4-methanimidoylphenyl)ethenamine
CID 142184056
1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine
CID 143048491
N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine
CID 143144030
2-methyl-N-[1-(4-prop-1-en-2-ylphenyl)ethenyl]propan-1-amine
CID 138667961
2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine
CID 174492825
1-[(E)-but-2-en-2-yl]-4-ethylbenzene
CID 19784779
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
3-(4-propylphenyl)but-2-enenitrile
CID 76913920
N-[1-(4-phenylphenyl)ethenyl]propan-1-amine
CID 143032131
ethyl-[ethylamino-[4-[ethylamino(ethylazaniumylidene)methyl]phenyl]methylidene]azanium
CID 5232713
5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile
CID 163814638

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-ethyl-2-[4-[1-(ethylamino)ethenyl]phenyl]-N-methylprop-1-en-1-amine?
The IUPAC name of ethane;(E)-N-ethyl-2-[4-[1-(ethylamino)ethenyl]phenyl]-N-methylprop-1-en-1-amine (CID 178020123) is ethane;(E)-N-ethyl-2-[4-[1-(ethylamino)ethenyl]phenyl]-N-methylprop-1-en-1-amine.
What is the SMILES notation for ethane;(E)-N-ethyl-2-[4-[1-(ethylamino)ethenyl]phenyl]-N-methylprop-1-en-1-amine?
The canonical SMILES for ethane;(E)-N-ethyl-2-[4-[1-(ethylamino)ethenyl]phenyl]-N-methylprop-1-en-1-amine is C=C(NCC)c1ccc(/C(C)=C/N(C)CC)cc1.CC.
What is the InChIKey of ethane;(E)-N-ethyl-2-[4-[1-(ethylamino)ethenyl]phenyl]-N-methylprop-1-en-1-amine?
The InChIKey is CJCDCIBQPJCVMM-UEIGIMKUSA-N. The full InChI is InChI=1S/C16H24N2.C2H6/c1-6-17-14(4)16-10-8-15(9-11-16)13(3)12-18(5)7-2;1-2/h8-12,17H,4,6-7H2,1-3,5H3;1-2H3/b13-12+;.
What are the key properties of ethane;(E)-N-ethyl-2-[4-[1-(ethylamino)ethenyl]phenyl]-N-methylprop-1-en-1-amine?
ethane;(E)-N-ethyl-2-[4-[1-(ethylamino)ethenyl]phenyl]-N-methylprop-1-en-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-ethyl-2-[4-[1-(ethylamino)ethenyl]phenyl]-N-methylprop-1-en-1-amine is sourced from PubChem (CID 178020123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).