(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine

C11H16N2 — CID 1112172

IUPAC(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
SMILESCN1CCCc2cc(CN)ccc21
InChIInChI=1S/C11H16N2/c1-13-6-2-3-10-7-9(8-12)4-5-11(10)13/h4-5,7H,2-3,6,8,12H2,1H3
InChIKeyYWWOJPNCKNCDOR-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.53
Rot. Bonds1

About (1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine

(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine (PubChem CID 1112172) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
PubChem CID1112172
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
SMILESCN1CCCc2cc(CN)ccc21
InChIInChI=1S/C11H16N2/c1-13-6-2-3-10-7-9(8-12)4-5-11(10)13/h4-5,7H,2-3,6,8,12H2,1H3
InChIKeyYWWOJPNCKNCDOR-UHFFFAOYSA-N
XLogP1.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine?
The IUPAC name of (1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine (CID 1112172) is (1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine.
What is the SMILES notation for (1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine?
The canonical SMILES for (1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine is CN1CCCc2cc(CN)ccc21.
What is the InChIKey of (1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine?
The InChIKey is YWWOJPNCKNCDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-13-6-2-3-10-7-9(8-12)4-5-11(10)13/h4-5,7H,2-3,6,8,12H2,1H3.
What are the key properties of (1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine?
(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine has a molecular weight of 176.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine is sourced from PubChem (CID 1112172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).