3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine

C16H24N2O — CID 103060116

IUPAC3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine
SMILESCC1Cc2ccccc2N(CC2COCCC2N)C1
InChIInChI=1S/C16H24N2O/c1-12-8-13-4-2-3-5-16(13)18(9-12)10-14-11-19-7-6-15(14)17/h2-5,12,14-15H,6-11,17H2,1H3
InChIKeyYSTOGJBBKOSDSB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.05
Rot. Bonds2

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

3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine (PubChem CID 103060116) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine
PubChem CID103060116
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine
SMILESCC1Cc2ccccc2N(CC2COCCC2N)C1
InChIInChI=1S/C16H24N2O/c1-12-8-13-4-2-3-5-16(13)18(9-12)10-14-11-19-7-6-15(14)17/h2-5,12,14-15H,6-11,17H2,1H3
InChIKeyYSTOGJBBKOSDSB-UHFFFAOYSA-N
XLogP2.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine
CID 103060120
2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-amine
CID 63494357
2,2-dimethyl-6-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-ol
CID 79843525
5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63572269
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992
N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxan-4-amine
CID 103058526
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
CID 15304197
2-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-2-amine
CID 55222667
3-methyl-1-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 63524793
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63404059
[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine
CID 80999104
3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 55192460

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine?
The IUPAC name of 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine (CID 103060116) is 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine.
What is the SMILES notation for 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine?
The canonical SMILES for 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine is CC1Cc2ccccc2N(CC2COCCC2N)C1.
What is the InChIKey of 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine?
The InChIKey is YSTOGJBBKOSDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-8-13-4-2-3-5-16(13)18(9-12)10-14-11-19-7-6-15(14)17/h2-5,12,14-15H,6-11,17H2,1H3.
What are the key properties of 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine?
3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-4-amine is sourced from PubChem (CID 103060116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).