3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine

C17H23N3O — CID 63711975

IUPAC3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine
SMILESCN(Cc1cc2ccccc2nc1N)CC1CCOCC1
InChIInChI=1S/C17H23N3O/c1-20(11-13-6-8-21-9-7-13)12-15-10-14-4-2-3-5-16(14)19-17(15)18/h2-5,10,13H,6-9,11-12H2,1H3,(H2,18,19)
InChIKeyODSHLFRDACWINV-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.68
Rot. Bonds4

About 3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine

3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine (PubChem CID 63711975) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine
PubChem CID63711975
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine
SMILESCN(Cc1cc2ccccc2nc1N)CC1CCOCC1
InChIInChI=1S/C17H23N3O/c1-20(11-13-6-8-21-9-7-13)12-15-10-14-4-2-3-5-16(14)19-17(15)18/h2-5,10,13H,6-9,11-12H2,1H3,(H2,18,19)
InChIKeyODSHLFRDACWINV-UHFFFAOYSA-N
XLogP2.68
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine?
The IUPAC name of 3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine (CID 63711975) is 3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine.
What is the SMILES notation for 3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine?
The canonical SMILES for 3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine is CN(Cc1cc2ccccc2nc1N)CC1CCOCC1.
What is the InChIKey of 3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine?
The InChIKey is ODSHLFRDACWINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20(11-13-6-8-21-9-7-13)12-15-10-14-4-2-3-5-16(14)19-17(15)18/h2-5,10,13H,6-9,11-12H2,1H3,(H2,18,19).
What are the key properties of 3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine?
3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine is sourced from PubChem (CID 63711975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).