1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine

C16H24N2 — CID 62861548

IUPAC1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
SMILESCN(Cc1ccc2c(c1)CCCN2)CC1CCC1
InChIInChI=1S/C16H24N2/c1-18(11-13-4-2-5-13)12-14-7-8-16-15(10-14)6-3-9-17-16/h7-8,10,13,17H,2-6,9,11-12H2,1H3
InChIKeyZFEDPXQNAAPYMO-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.28
Rot. Bonds4

About 1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine

1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine (PubChem CID 62861548) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
PubChem CID62861548
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
SMILESCN(Cc1ccc2c(c1)CCCN2)CC1CCC1
InChIInChI=1S/C16H24N2/c1-18(11-13-4-2-5-13)12-14-7-8-16-15(10-14)6-3-9-17-16/h7-8,10,13,17H,2-6,9,11-12H2,1H3
InChIKeyZFEDPXQNAAPYMO-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
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-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine?
The IUPAC name of 1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine (CID 62861548) is 1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine?
The canonical SMILES for 1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine is CN(Cc1ccc2c(c1)CCCN2)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine?
The InChIKey is ZFEDPXQNAAPYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-18(11-13-4-2-5-13)12-14-7-8-16-15(10-14)6-3-9-17-16/h7-8,10,13,17H,2-6,9,11-12H2,1H3.
What are the key properties of 1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine?
1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine has a molecular weight of 244.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine is sourced from PubChem (CID 62861548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).