3-[(R)-cyclohexyl-(6-methylcyclohepta-1,3-dien-1-yl)methyl]azete

C18H25N — CID 166882468

IUPAC3-[(R)-cyclohexyl-(6-methylcyclohepta-1,3-dien-1-yl)methyl]azete
SMILESCC1CC=CC=C([C@H](C2=CN=C2)C2CCCCC2)C1
InChIInChI=1S/C18H25N/c1-14-7-5-6-10-16(11-14)18(17-12-19-13-17)15-8-3-2-4-9-15/h5-6,10,12-15,18H,2-4,7-9,11H2,1H3/t14?,18-/m1/s1
InChIKeyJJTRPTUANMQYIX-XPKAQORNSA-N
MW255.41 g/mol
LogP5.06
Rot. Bonds3

About 3-[(R)-cyclohexyl-(6-methylcyclohepta-1,3-dien-1-yl)methyl]azete

3-[(R)-cyclohexyl-(6-methylcyclohepta-1,3-dien-1-yl)methyl]azete (PubChem CID 166882468) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-[(R)-cyclohexyl-(6-methylcyclohepta-1,3-dien-1-yl)methyl]azete.

Molecular Properties

Compound Name3-[(R)-cyclohexyl-(6-methylcyclohepta-1,3-dien-1-yl)methyl]azete
PubChem CID166882468
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name3-[(R)-cyclohexyl-(6-methylcyclohepta-1,3-dien-1-yl)methyl]azete
SMILESCC1CC=CC=C([C@H](C2=CN=C2)C2CCCCC2)C1
InChIInChI=1S/C18H25N/c1-14-7-5-6-10-16(11-14)18(17-12-19-13-17)15-8-3-2-4-9-15/h5-6,10,12-15,18H,2-4,7-9,11H2,1H3/t14?,18-/m1/s1
InChIKeyJJTRPTUANMQYIX-XPKAQORNSA-N
XLogP5.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.41
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(R)-cyclohexyl-(6-methylcyclohepta-1,3-dien-1-yl)methyl]azete?
The IUPAC name of 3-[(R)-cyclohexyl-(6-methylcyclohepta-1,3-dien-1-yl)methyl]azete (CID 166882468) is 3-[(R)-cyclohexyl-(6-methylcyclohepta-1,3-dien-1-yl)methyl]azete.
What is the SMILES notation for 3-[(R)-cyclohexyl-(6-methylcyclohepta-1,3-dien-1-yl)methyl]azete?
The canonical SMILES for 3-[(R)-cyclohexyl-(6-methylcyclohepta-1,3-dien-1-yl)methyl]azete is CC1CC=CC=C([C@H](C2=CN=C2)C2CCCCC2)C1.
What is the InChIKey of 3-[(R)-cyclohexyl-(6-methylcyclohepta-1,3-dien-1-yl)methyl]azete?
The InChIKey is JJTRPTUANMQYIX-XPKAQORNSA-N. The full InChI is InChI=1S/C18H25N/c1-14-7-5-6-10-16(11-14)18(17-12-19-13-17)15-8-3-2-4-9-15/h5-6,10,12-15,18H,2-4,7-9,11H2,1H3/t14?,18-/m1/s1.
What are the key properties of 3-[(R)-cyclohexyl-(6-methylcyclohepta-1,3-dien-1-yl)methyl]azete?
3-[(R)-cyclohexyl-(6-methylcyclohepta-1,3-dien-1-yl)methyl]azete has a molecular weight of 255.41 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-cyclohexyl-(6-methylcyclohepta-1,3-dien-1-yl)methyl]azete is sourced from PubChem (CID 166882468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).