2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline

C17H25N — CID 106781039

IUPAC2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1Cc2ccccc2NC1C1CCCCCC1
InChIInChI=1S/C17H25N/c1-13-12-15-10-6-7-11-16(15)18-17(13)14-8-4-2-3-5-9-14/h6-7,10-11,13-14,17-18H,2-5,8-9,12H2,1H3
InChIKeyJWNQHEZRXVRCEV-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.63
Rot. Bonds1

About 2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline

2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 106781039) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID106781039
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1Cc2ccccc2NC1C1CCCCCC1
InChIInChI=1S/C17H25N/c1-13-12-15-10-6-7-11-16(15)18-17(13)14-8-4-2-3-5-9-14/h6-7,10-11,13-14,17-18H,2-5,8-9,12H2,1H3
InChIKeyJWNQHEZRXVRCEV-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139325811
2-cyclohexyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165487729
2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106779529
(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
CID 102507922
2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106780788
(2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 15312191
(2R)-2-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 155819591
(2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139326096
1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
CID 135040904
2-(2-cyclopropylethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106779885
(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598
3-methyl-2-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroquinoline
CID 115503214

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline (CID 106781039) is 2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline is CC1Cc2ccccc2NC1C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is JWNQHEZRXVRCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-13-12-15-10-6-7-11-16(15)18-17(13)14-8-4-2-3-5-9-14/h6-7,10-11,13-14,17-18H,2-5,8-9,12H2,1H3.
What are the key properties of 2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline?
2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 243.39 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106781039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).