1-(azepan-2-ylmethyl)-6-methyl-3,4-dihydro-2H-quinoline

C17H26N2 — CID 64570967

IUPAC1-(azepan-2-ylmethyl)-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2CC1CCCCCN1
InChIInChI=1S/C17H26N2/c1-14-8-9-17-15(12-14)6-5-11-19(17)13-16-7-3-2-4-10-18-16/h8-9,12,16,18H,2-7,10-11,13H2,1H3
InChIKeyTYIJJAHHWAAAFK-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.28
Rot. Bonds2

About 1-(azepan-2-ylmethyl)-6-methyl-3,4-dihydro-2H-quinoline

1-(azepan-2-ylmethyl)-6-methyl-3,4-dihydro-2H-quinoline (PubChem CID 64570967) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(azepan-2-ylmethyl)-6-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(azepan-2-ylmethyl)-6-methyl-3,4-dihydro-2H-quinoline
PubChem CID64570967
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-(azepan-2-ylmethyl)-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2CC1CCCCCN1
InChIInChI=1S/C17H26N2/c1-14-8-9-17-15(12-14)6-5-11-19(17)13-16-7-3-2-4-10-18-16/h8-9,12,16,18H,2-7,10-11,13H2,1H3
InChIKeyTYIJJAHHWAAAFK-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-ylmethyl)-6-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(azepan-2-ylmethyl)-6-methyl-3,4-dihydro-2H-quinoline (CID 64570967) is 1-(azepan-2-ylmethyl)-6-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(azepan-2-ylmethyl)-6-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(azepan-2-ylmethyl)-6-methyl-3,4-dihydro-2H-quinoline is Cc1ccc2c(c1)CCCN2CC1CCCCCN1.
What is the InChIKey of 1-(azepan-2-ylmethyl)-6-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is TYIJJAHHWAAAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-8-9-17-15(12-14)6-5-11-19(17)13-16-7-3-2-4-10-18-16/h8-9,12,16,18H,2-7,10-11,13H2,1H3.
What are the key properties of 1-(azepan-2-ylmethyl)-6-methyl-3,4-dihydro-2H-quinoline?
1-(azepan-2-ylmethyl)-6-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 258.41 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-ylmethyl)-6-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 64570967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).