1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene

C34H63N — CID 166131754

IUPAC1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene
SMILESC/N=C(\C)c1cc(C)cc(C)c1.C=C(C)C.C=C(C)C.CC.CC.CC.CC1=CCCC(C)=C1C
InChIInChI=1S/C11H15N.C9H14.2C4H8.3C2H6/c1-8-5-9(2)7-11(6-8)10(3)12-4;1-7-5-4-6-8(2)9(7)3;2*1-4(2)3;3*1-2/h5-7H,1-4H3;5H,4,6H2,1-3H3;2*1H2,2-3H3;3*1-2H3/b12-10+;;;;;;
InChIKeyUCHBCCLCFXHMOA-AQAUKMJMSA-N
MW485.89 g/mol
LogP12.05
Rot. Bonds1

About 1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene

1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene (PubChem CID 166131754) has the molecular formula C34H63N and a molecular weight of 485.89 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene
PubChem CID166131754
Molecular FormulaC34H63N
Molecular Weight485.89 g/mol
Exact Mass485.50
IUPAC Name1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene
SMILESC/N=C(\C)c1cc(C)cc(C)c1.C=C(C)C.C=C(C)C.CC.CC.CC.CC1=CCCC(C)=C1C
InChIInChI=1S/C11H15N.C9H14.2C4H8.3C2H6/c1-8-5-9(2)7-11(6-8)10(3)12-4;1-7-5-4-6-8(2)9(7)3;2*1-4(2)3;3*1-2/h5-7H,1-4H3;5H,4,6H2,1-3H3;2*1H2,2-3H3;3*1-2H3/b12-10+;;;;;;
InChIKeyUCHBCCLCFXHMOA-AQAUKMJMSA-N
XLogP12.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.89
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine
CID 138698853
ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene
CID 143703255
N,N'-bis[1-(3,5-dimethylphenyl)ethenyl]methanimidamide
CID 123873965
2,6-dimethylcyclohexa-1,5-dien-1-ol
CID 14982407
1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen
CID 163256290
2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene
CID 10844978
1-methyl-3,5-bis(prop-1-en-2-yl)benzene
CID 142935126
1-(1-fluoroethenyl)-3,5-dimethylbenzene
CID 130699738
bis(3,5-dimethylphenyl)methanone
CID 15640171
ethane;1,3,5-trimethylbenzene
CID 91530079
5,6-dimethylcyclohexa-1,5-dien-1-amine
CID 143080216
N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine
CID 123292891

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene (CID 166131754) is 1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene is C/N=C(\C)c1cc(C)cc(C)c1.C=C(C)C.C=C(C)C.CC.CC.CC.CC1=CCCC(C)=C1C.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene?
The InChIKey is UCHBCCLCFXHMOA-AQAUKMJMSA-N. The full InChI is InChI=1S/C11H15N.C9H14.2C4H8.3C2H6/c1-8-5-9(2)7-11(6-8)10(3)12-4;1-7-5-4-6-8(2)9(7)3;2*1-4(2)3;3*1-2/h5-7H,1-4H3;5H,4,6H2,1-3H3;2*1H2,2-3H3;3*1-2H3/b12-10+;;;;;;.
What are the key properties of 1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene?
1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene has a molecular weight of 485.89 g/mol, XLogP of 12.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene is sourced from PubChem (CID 166131754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).