4-(azetidin-1-ylmethyl)-6-methyl-1,2,3,4-tetrahydroquinoline

C14H20N2 — CID 105470409

IUPAC4-(azetidin-1-ylmethyl)-6-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc2c(c1)C(CN1CCC1)CCN2
InChIInChI=1S/C14H20N2/c1-11-3-4-14-13(9-11)12(5-6-15-14)10-16-7-2-8-16/h3-4,9,12,15H,2,5-8,10H2,1H3
InChIKeyLFPDULMGKNLWLQ-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.60
Rot. Bonds2

About 4-(azetidin-1-ylmethyl)-6-methyl-1,2,3,4-tetrahydroquinoline

4-(azetidin-1-ylmethyl)-6-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 105470409) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)-6-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-(azetidin-1-ylmethyl)-6-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID105470409
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4-(azetidin-1-ylmethyl)-6-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc2c(c1)C(CN1CCC1)CCN2
InChIInChI=1S/C14H20N2/c1-11-3-4-14-13(9-11)12(5-6-15-14)10-16-7-2-8-16/h3-4,9,12,15H,2,5-8,10H2,1H3
InChIKeyLFPDULMGKNLWLQ-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-4-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 105494864
4-(2-methoxyethyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CID 84620577
(7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine
CID 82403784
6-methyl-4-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275555
4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline
CID 130774875
4-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
CID 84717052
6-methyl-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105456822
7-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275529
N-cyclopropyl-6-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105454813
N-[(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine
CID 105488638
5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106820143
2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid
CID 82276200

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylmethyl)-6-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-(azetidin-1-ylmethyl)-6-methyl-1,2,3,4-tetrahydroquinoline (CID 105470409) is 4-(azetidin-1-ylmethyl)-6-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-(azetidin-1-ylmethyl)-6-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-(azetidin-1-ylmethyl)-6-methyl-1,2,3,4-tetrahydroquinoline is Cc1ccc2c(c1)C(CN1CCC1)CCN2.
What is the InChIKey of 4-(azetidin-1-ylmethyl)-6-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is LFPDULMGKNLWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-3-4-14-13(9-11)12(5-6-15-14)10-16-7-2-8-16/h3-4,9,12,15H,2,5-8,10H2,1H3.
What are the key properties of 4-(azetidin-1-ylmethyl)-6-methyl-1,2,3,4-tetrahydroquinoline?
4-(azetidin-1-ylmethyl)-6-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 216.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylmethyl)-6-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105470409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).