3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline

C17H26N2 — CID 106902202

IUPAC3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCC1CCCN(CC2CNc3ccccc3C2)CC1
InChIInChI=1S/C17H26N2/c1-14-5-4-9-19(10-8-14)13-15-11-16-6-2-3-7-17(16)18-12-15/h2-3,6-7,14-15,18H,4-5,8-13H2,1H3
InChIKeyOZWJKPZDOHNLEE-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.39
Rot. Bonds2

About 3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline

3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106902202) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106902202
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCC1CCCN(CC2CNc3ccccc3C2)CC1
InChIInChI=1S/C17H26N2/c1-14-5-4-9-19(10-8-14)13-15-11-16-6-2-3-7-17(16)18-12-15/h2-3,6-7,14-15,18H,4-5,8-13H2,1H3
InChIKeyOZWJKPZDOHNLEE-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 105454799
(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 70239123
3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106902225
N,N-dimethyl-1-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)piperidin-4-amine
CID 106901995
3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106901956
3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106902182
N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
CID 106902191
N,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)cyclohexan-1-amine
CID 106902062
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106902175
4-methyl-5-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 106902106
3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 55061951
3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80567119

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 106902202) is 3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline is CC1CCCN(CC2CNc3ccccc3C2)CC1.
What is the InChIKey of 3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is OZWJKPZDOHNLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-5-4-9-19(10-8-14)13-15-11-16-6-2-3-7-17(16)18-12-15/h2-3,6-7,14-15,18H,4-5,8-13H2,1H3.
What are the key properties of 3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 258.41 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106902202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).