ethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene

C34H60N2 — CID 158414729

IUPACethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene
SMILESCC.CC.CC.CC.CC1CCCCC1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1
InChIInChI=1S/C7H14.C7H8.2C6H7N.4C2H6/c2*1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;4*1-2/h7H,2-6H2,1H3;2-6H,1H3;2*2-5H,1H3;4*1-2H3
InChIKeyGZTBAQRPLRQPNW-UHFFFAOYSA-N
MW496.87 g/mol
LogP11.47
Rot. Bonds

About ethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene

ethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene (PubChem CID 158414729) has the molecular formula C34H60N2 and a molecular weight of 496.87 g/mol. Its IUPAC name is ethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene.

Molecular Properties

Compound Nameethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene
PubChem CID158414729
Molecular FormulaC34H60N2
Molecular Weight496.87 g/mol
Exact Mass496.48
IUPAC Nameethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene
SMILESCC.CC.CC.CC.CC1CCCCC1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1
InChIInChI=1S/C7H14.C7H8.2C6H7N.4C2H6/c2*1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;4*1-2/h7H,2-6H2,1H3;2-6H,1H3;2*2-5H,1H3;4*1-2H3
InChIKeyGZTBAQRPLRQPNW-UHFFFAOYSA-N
XLogP11.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.87
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene?
The IUPAC name of ethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene (CID 158414729) is ethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene.
What is the SMILES notation for ethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene?
The canonical SMILES for ethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene is CC.CC.CC.CC.CC1CCCCC1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.
What is the InChIKey of ethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene?
The InChIKey is GZTBAQRPLRQPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C7H8.2C6H7N.4C2H6/c2*1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;4*1-2/h7H,2-6H2,1H3;2-6H,1H3;2*2-5H,1H3;4*1-2H3.
What are the key properties of ethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene?
ethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene has a molecular weight of 496.87 g/mol, XLogP of 11.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclohexane;2-methylpyridine;3-methylpyridine;toluene is sourced from PubChem (CID 158414729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).