9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine

C18H25N — CID 91340343

IUPAC9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine
SMILESCC1=NCCC2=CC=CCC(CC3CCCCC3)=C21
InChIInChI=1S/C18H25N/c1-14-18-16(11-12-19-14)9-5-6-10-17(18)13-15-7-3-2-4-8-15/h5-6,9,15H,2-4,7-8,10-13H2,1H3
InChIKeyFQRIDZYFUMYPHB-UHFFFAOYSA-N
MW255.40 g/mol
LogP5.00
Rot. Bonds2

About 9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine

9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine (PubChem CID 91340343) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine.

Molecular Properties

Compound Name9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine
PubChem CID91340343
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine
SMILESCC1=NCCC2=CC=CCC(CC3CCCCC3)=C21
InChIInChI=1S/C18H25N/c1-14-18-16(11-12-19-14)9-5-6-10-17(18)13-15-7-3-2-4-8-15/h5-6,9,15H,2-4,7-8,10-13H2,1H3
InChIKeyFQRIDZYFUMYPHB-UHFFFAOYSA-N
XLogP5.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 6445873
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Cyclohexyl 2h benzimidazole
CID 129815849
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508
18-Methyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
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CID 54448426
4-Methyl-6-(3-methylbut-1-enyl)-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 56635976
9-Pentyl-1,2,3,4,6,7,8,10b-octahydrophenanthridine
CID 57098349
4-Methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 57170989
18-Ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
CID 57196680
8-Azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
CID 57316047
1,2,3,4,6,7,8,10b-Octahydrophenanthridine
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Frequently Asked Questions

What is the IUPAC name of 9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine?
The IUPAC name of 9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine (CID 91340343) is 9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine.
What is the SMILES notation for 9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine?
The canonical SMILES for 9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine is CC1=NCCC2=CC=CCC(CC3CCCCC3)=C21.
What is the InChIKey of 9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine?
The InChIKey is FQRIDZYFUMYPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-14-18-16(11-12-19-14)9-5-6-10-17(18)13-15-7-3-2-4-8-15/h5-6,9,15H,2-4,7-8,10-13H2,1H3.
What are the key properties of 9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine?
9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine has a molecular weight of 255.40 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine is sourced from PubChem (CID 91340343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).