1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine

C15H18N2O — CID 55061002

IUPAC1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine
SMILESc1cc(CNCC2CCCO2)c2cccnc2c1
InChIInChI=1S/C15H18N2O/c1-4-12(10-16-11-13-5-3-9-18-13)14-6-2-8-17-15(14)7-1/h1-2,4,6-8,13,16H,3,5,9-11H2
InChIKeyLSLULTXYJAIYET-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.50
Rot. Bonds4

About 1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine

1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine (PubChem CID 55061002) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine
PubChem CID55061002
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine
SMILESc1cc(CNCC2CCCO2)c2cccnc2c1
InChIInChI=1S/C15H18N2O/c1-4-12(10-16-11-13-5-3-9-18-13)14-6-2-8-17-15(14)7-1/h1-2,4,6-8,13,16H,3,5,9-11H2
InChIKeyLSLULTXYJAIYET-UHFFFAOYSA-N
XLogP2.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine
CID 104614221
N-[(2-butoxy-3-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 54847592
N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458212
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7248431
1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine
CID 17213568
N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 55023246
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 17290269
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one
CID 115789835
2-[(oxolan-2-ylmethylamino)methyl]benzene-1,3-diol
CID 45093757
2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide
CID 68614900

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine (CID 55061002) is 1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine is c1cc(CNCC2CCCO2)c2cccnc2c1.
What is the InChIKey of 1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine?
The InChIKey is LSLULTXYJAIYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-4-12(10-16-11-13-5-3-9-18-13)14-6-2-8-17-15(14)7-1/h1-2,4,6-8,13,16H,3,5,9-11H2.
What are the key properties of 1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine?
1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine has a molecular weight of 242.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine is sourced from PubChem (CID 55061002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).