3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline

C13H18N2 — CID 105454799

IUPAC3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(CN1CCC1)CN2
InChIInChI=1S/C13H18N2/c1-2-5-13-12(4-1)8-11(9-14-13)10-15-6-3-7-15/h1-2,4-5,11,14H,3,6-10H2
InChIKeyGYYPQUIWWAAEPI-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.98
Rot. Bonds2

About 3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline

3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 105454799) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID105454799
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(CN1CCC1)CN2
InChIInChI=1S/C13H18N2/c1-2-5-13-12(4-1)8-11(9-14-13)10-15-6-3-7-15/h1-2,4-5,11,14H,3,6-10H2
InChIKeyGYYPQUIWWAAEPI-UHFFFAOYSA-N
XLogP1.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 70239123
3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106902202
3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106902182
3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106902225
3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106901956
N,N-dimethyl-1-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)piperidin-4-amine
CID 106901995
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106902175
N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
CID 106902191
4-methyl-5-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 106902106
3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline
CID 76504253
3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
CID 106781112
N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline (CID 105454799) is 3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)CC(CN1CCC1)CN2.
What is the InChIKey of 3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is GYYPQUIWWAAEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-5-13-12(4-1)8-11(9-14-13)10-15-6-3-7-15/h1-2,4-5,11,14H,3,6-10H2.
What are the key properties of 3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 202.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105454799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).