7-cycloheptyl-5-methyl-1,2,3,4,4a,8a-hexahydroquinoline

C17H27N — CID 170127518

IUPAC7-cycloheptyl-5-methyl-1,2,3,4,4a,8a-hexahydroquinoline
SMILESCC1=CC(C2CCCCCC2)=CC2NCCCC12
InChIInChI=1S/C17H27N/c1-13-11-15(14-7-4-2-3-5-8-14)12-17-16(13)9-6-10-18-17/h11-12,14,16-18H,2-10H2,1H3
InChIKeyWPNBQZNAMMBSBV-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.21
Rot. Bonds1

About 7-cycloheptyl-5-methyl-1,2,3,4,4a,8a-hexahydroquinoline

7-cycloheptyl-5-methyl-1,2,3,4,4a,8a-hexahydroquinoline (PubChem CID 170127518) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 7-cycloheptyl-5-methyl-1,2,3,4,4a,8a-hexahydroquinoline.

Molecular Properties

Compound Name7-cycloheptyl-5-methyl-1,2,3,4,4a,8a-hexahydroquinoline
PubChem CID170127518
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name7-cycloheptyl-5-methyl-1,2,3,4,4a,8a-hexahydroquinoline
SMILESCC1=CC(C2CCCCCC2)=CC2NCCCC12
InChIInChI=1S/C17H27N/c1-13-11-15(14-7-4-2-3-5-8-14)12-17-16(13)9-6-10-18-17/h11-12,14,16-18H,2-10H2,1H3
InChIKeyWPNBQZNAMMBSBV-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-cycloheptyl-5-methyl-1,2,3,4,4a,8a-hexahydroquinoline?
The IUPAC name of 7-cycloheptyl-5-methyl-1,2,3,4,4a,8a-hexahydroquinoline (CID 170127518) is 7-cycloheptyl-5-methyl-1,2,3,4,4a,8a-hexahydroquinoline.
What is the SMILES notation for 7-cycloheptyl-5-methyl-1,2,3,4,4a,8a-hexahydroquinoline?
The canonical SMILES for 7-cycloheptyl-5-methyl-1,2,3,4,4a,8a-hexahydroquinoline is CC1=CC(C2CCCCCC2)=CC2NCCCC12.
What is the InChIKey of 7-cycloheptyl-5-methyl-1,2,3,4,4a,8a-hexahydroquinoline?
The InChIKey is WPNBQZNAMMBSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-11-15(14-7-4-2-3-5-8-14)12-17-16(13)9-6-10-18-17/h11-12,14,16-18H,2-10H2,1H3.
What are the key properties of 7-cycloheptyl-5-methyl-1,2,3,4,4a,8a-hexahydroquinoline?
7-cycloheptyl-5-methyl-1,2,3,4,4a,8a-hexahydroquinoline has a molecular weight of 245.41 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cycloheptyl-5-methyl-1,2,3,4,4a,8a-hexahydroquinoline is sourced from PubChem (CID 170127518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).