[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine

C15H22N2 — CID 80999104

IUPAC[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine
SMILESCC1Cc2ccccc2N(C2CCC2CN)C1
InChIInChI=1S/C15H22N2/c1-11-8-12-4-2-3-5-14(12)17(10-11)15-7-6-13(15)9-16/h2-5,11,13,15H,6-10,16H2,1H3
InChIKeyNJSUPUDHHOIRIB-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.42
Rot. Bonds2

About [2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine

[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine (PubChem CID 80999104) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is [2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine
PubChem CID80999104
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine
SMILESCC1Cc2ccccc2N(C2CCC2CN)C1
InChIInChI=1S/C15H22N2/c1-11-8-12-4-2-3-5-14(12)17(10-11)15-7-6-13(15)9-16/h2-5,11,13,15H,6-10,16H2,1H3
InChIKeyNJSUPUDHHOIRIB-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine?
The IUPAC name of [2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine (CID 80999104) is [2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine.
What is the SMILES notation for [2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine?
The canonical SMILES for [2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine is CC1Cc2ccccc2N(C2CCC2CN)C1.
What is the InChIKey of [2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine?
The InChIKey is NJSUPUDHHOIRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11-8-12-4-2-3-5-14(12)17(10-11)15-7-6-13(15)9-16/h2-5,11,13,15H,6-10,16H2,1H3.
What are the key properties of [2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine?
[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine has a molecular weight of 230.36 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine is sourced from PubChem (CID 80999104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).