1-[(Z)-3,4-dimethyl-2-(2-methylphenyl)hex-2-enyl]-4-ethenylbenzene;ethane;4-ethyl-1-[(4-methylphenyl)methyl]piperidine;methylcyclopropane

C44H65N — CID 144879965

IUPAC1-[(Z)-3,4-dimethyl-2-(2-methylphenyl)hex-2-enyl]-4-ethenylbenzene;ethane;4-ethyl-1-[(4-methylphenyl)methyl]piperidine;methylcyclopropane
SMILESC=Cc1ccc(C/C(=C(\C)C(C)CC)c2ccccc2C)cc1.CC.CC1CC1.CCC1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C23H28.C15H23N.C4H8.C2H6/c1-6-17(3)19(5)23(22-11-9-8-10-18(22)4)16-21-14-12-20(7-2)13-15-21;1-3-14-8-10-16(11-9-14)12-15-6-4-13(2)5-7-15;1-4-2-3-4;1-2/h7-15,17H,2,6,16H2,1,3-5H3;4-7,14H,3,8-12H2,1-2H3;4H,2-3H2,1H3;1-2H3/b23-19-;;;
InChIKeyRADVDHYAYMOXKM-SQHFZLLQSA-N
MW608.01 g/mol
LogP12.76
Rot. Bonds9

About 1-[(Z)-3,4-dimethyl-2-(2-methylphenyl)hex-2-enyl]-4-ethenylbenzene;ethane;4-ethyl-1-[(4-methylphenyl)methyl]piperidine;methylcyclopropane

1-[(Z)-3,4-dimethyl-2-(2-methylphenyl)hex-2-enyl]-4-ethenylbenzene;ethane;4-ethyl-1-[(4-methylphenyl)methyl]piperidine;methylcyclopropane (PubChem CID 144879965) has the molecular formula C44H65N and a molecular weight of 608.01 g/mol. Its IUPAC name is 1-[(Z)-3,4-dimethyl-2-(2-methylphenyl)hex-2-enyl]-4-ethenylbenzene;ethane;4-ethyl-1-[(4-methylphenyl)methyl]piperidine;methylcyclopropane.

Molecular Properties

Compound Name1-[(Z)-3,4-dimethyl-2-(2-methylphenyl)hex-2-enyl]-4-ethenylbenzene;ethane;4-ethyl-1-[(4-methylphenyl)methyl]piperidine;methylcyclopropane
PubChem CID144879965
Molecular FormulaC44H65N
Molecular Weight608.01 g/mol
Exact Mass607.51
IUPAC Name1-[(Z)-3,4-dimethyl-2-(2-methylphenyl)hex-2-enyl]-4-ethenylbenzene;ethane;4-ethyl-1-[(4-methylphenyl)methyl]piperidine;methylcyclopropane
SMILESC=Cc1ccc(C/C(=C(\C)C(C)CC)c2ccccc2C)cc1.CC.CC1CC1.CCC1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C23H28.C15H23N.C4H8.C2H6/c1-6-17(3)19(5)23(22-11-9-8-10-18(22)4)16-21-14-12-20(7-2)13-15-21;1-3-14-8-10-16(11-9-14)12-15-6-4-13(2)5-7-15;1-4-2-3-4;1-2/h7-15,17H,2,6,16H2,1,3-5H3;4-7,14H,3,8-12H2,1-2H3;4H,2-3H2,1H3;1-2H3/b23-19-;;;
InChIKeyRADVDHYAYMOXKM-SQHFZLLQSA-N
XLogP12.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.01
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
1-[(4-ethenylphenyl)methyl]-4-methylpiperidine
CID 89299852
3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine
CID 144719735
N-butan-2-yl-1-[(4-methylphenyl)methyl]-N-propylpiperidin-4-amine
CID 143280273
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone
CID 159274096
[4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol
CID 112631282
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
3,4-dimethylpenta-1,3-diene;ethane;1-ethenyl-4-methylbenzene;4-ethylheptane;1-methyl-2-(4-methylpenta-1,3-dien-2-yl)benzene;toluene
CID 145499887
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013963
[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54971109
(3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol
CID 129494089

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3,4-dimethyl-2-(2-methylphenyl)hex-2-enyl]-4-ethenylbenzene;ethane;4-ethyl-1-[(4-methylphenyl)methyl]piperidine;methylcyclopropane?
The IUPAC name of 1-[(Z)-3,4-dimethyl-2-(2-methylphenyl)hex-2-enyl]-4-ethenylbenzene;ethane;4-ethyl-1-[(4-methylphenyl)methyl]piperidine;methylcyclopropane (CID 144879965) is 1-[(Z)-3,4-dimethyl-2-(2-methylphenyl)hex-2-enyl]-4-ethenylbenzene;ethane;4-ethyl-1-[(4-methylphenyl)methyl]piperidine;methylcyclopropane.
What is the SMILES notation for 1-[(Z)-3,4-dimethyl-2-(2-methylphenyl)hex-2-enyl]-4-ethenylbenzene;ethane;4-ethyl-1-[(4-methylphenyl)methyl]piperidine;methylcyclopropane?
The canonical SMILES for 1-[(Z)-3,4-dimethyl-2-(2-methylphenyl)hex-2-enyl]-4-ethenylbenzene;ethane;4-ethyl-1-[(4-methylphenyl)methyl]piperidine;methylcyclopropane is C=Cc1ccc(C/C(=C(\C)C(C)CC)c2ccccc2C)cc1.CC.CC1CC1.CCC1CCN(Cc2ccc(C)cc2)CC1.
What is the InChIKey of 1-[(Z)-3,4-dimethyl-2-(2-methylphenyl)hex-2-enyl]-4-ethenylbenzene;ethane;4-ethyl-1-[(4-methylphenyl)methyl]piperidine;methylcyclopropane?
The InChIKey is RADVDHYAYMOXKM-SQHFZLLQSA-N. The full InChI is InChI=1S/C23H28.C15H23N.C4H8.C2H6/c1-6-17(3)19(5)23(22-11-9-8-10-18(22)4)16-21-14-12-20(7-2)13-15-21;1-3-14-8-10-16(11-9-14)12-15-6-4-13(2)5-7-15;1-4-2-3-4;1-2/h7-15,17H,2,6,16H2,1,3-5H3;4-7,14H,3,8-12H2,1-2H3;4H,2-3H2,1H3;1-2H3/b23-19-;;;.
What are the key properties of 1-[(Z)-3,4-dimethyl-2-(2-methylphenyl)hex-2-enyl]-4-ethenylbenzene;ethane;4-ethyl-1-[(4-methylphenyl)methyl]piperidine;methylcyclopropane?
1-[(Z)-3,4-dimethyl-2-(2-methylphenyl)hex-2-enyl]-4-ethenylbenzene;ethane;4-ethyl-1-[(4-methylphenyl)methyl]piperidine;methylcyclopropane has a molecular weight of 608.01 g/mol, XLogP of 12.76, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3,4-dimethyl-2-(2-methylphenyl)hex-2-enyl]-4-ethenylbenzene;ethane;4-ethyl-1-[(4-methylphenyl)methyl]piperidine;methylcyclopropane is sourced from PubChem (CID 144879965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).