7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline

C16H24N2 — CID 81215477

IUPAC7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CCCCCN1c1ccc2c(c1)NCCC2
InChIInChI=1S/C16H24N2/c1-13-6-3-2-4-11-18(13)15-9-8-14-7-5-10-17-16(14)12-15/h8-9,12-13,17H,2-7,10-11H2,1H3
InChIKeyKTHWIMIFJPZHSY-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.81
Rot. Bonds1

About 7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline

7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81215477) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81215477
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CCCCCN1c1ccc2c(c1)NCCC2
InChIInChI=1S/C16H24N2/c1-13-6-3-2-4-11-18(13)15-9-8-14-7-5-10-17-16(14)12-15/h8-9,12-13,17H,2-7,10-11H2,1H3
InChIKeyKTHWIMIFJPZHSY-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline (CID 81215477) is 7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline is CC1CCCCCN1c1ccc2c(c1)NCCC2.
What is the InChIKey of 7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is KTHWIMIFJPZHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-6-3-2-4-11-18(13)15-9-8-14-7-5-10-17-16(14)12-15/h8-9,12-13,17H,2-7,10-11H2,1H3.
What are the key properties of 7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 244.38 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81215477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).