2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine

C16H20N2O — CID 81428245

IUPAC2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine
SMILESCC1CC(NCc2cccc3cccnc23)CCO1
InChIInChI=1S/C16H20N2O/c1-12-10-15(7-9-19-12)18-11-14-5-2-4-13-6-3-8-17-16(13)14/h2-6,8,12,15,18H,7,9-11H2,1H3
InChIKeyDVQIJVKGDRXZRR-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.89
Rot. Bonds3

About 2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine

2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine (PubChem CID 81428245) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine
PubChem CID81428245
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine
SMILESCC1CC(NCc2cccc3cccnc23)CCO1
InChIInChI=1S/C16H20N2O/c1-12-10-15(7-9-19-12)18-11-14-5-2-4-13-6-3-8-17-16(13)14/h2-6,8,12,15,18H,7,9-11H2,1H3
InChIKeyDVQIJVKGDRXZRR-UHFFFAOYSA-N
XLogP2.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 79032434
2-methyl-N-(quinolin-8-ylmethyl)oxolan-3-amine
CID 115337151
N-[(3-ethyl-2-pyridinyl)methyl]-2-methyloxan-4-amine
CID 82731940
3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 103701386
3-(quinolin-8-ylmethylamino)cyclohexan-1-ol
CID 43751062
4-methyl-N-(quinolin-8-ylmethyl)cycloheptan-1-amine
CID 81426138
N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine
CID 64681355
3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 81428857
N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728504
N-(1H-indol-4-ylmethyl)-2-methyloxan-4-amine
CID 113346334
2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine
CID 83007197
(5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 97234841

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine?
The IUPAC name of 2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine (CID 81428245) is 2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine.
What is the SMILES notation for 2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine?
The canonical SMILES for 2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine is CC1CC(NCc2cccc3cccnc23)CCO1.
What is the InChIKey of 2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine?
The InChIKey is DVQIJVKGDRXZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-10-15(7-9-19-12)18-11-14-5-2-4-13-6-3-8-17-16(13)14/h2-6,8,12,15,18H,7,9-11H2,1H3.
What are the key properties of 2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine?
2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine has a molecular weight of 256.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine is sourced from PubChem (CID 81428245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).