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

C14H17N3O — CID 104614221

IUPAC1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine
SMILESc1cc(CNCC2CCCO2)c2nccnc2c1
InChIInChI=1S/C14H17N3O/c1-3-11(9-15-10-12-4-2-8-18-12)14-13(5-1)16-6-7-17-14/h1,3,5-7,12,15H,2,4,8-10H2
InChIKeyJSHVFMCBHIQSGR-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.90
Rot. Bonds4

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

1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine (PubChem CID 104614221) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine
PubChem CID104614221
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine
SMILESc1cc(CNCC2CCCO2)c2nccnc2c1
InChIInChI=1S/C14H17N3O/c1-3-11(9-15-10-12-4-2-8-18-12)14-13(5-1)16-6-7-17-14/h1,3,5-7,12,15H,2,4,8-10H2
InChIKeyJSHVFMCBHIQSGR-UHFFFAOYSA-N
XLogP1.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine
CID 55061002
N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458212
N-(quinoxalin-5-ylmethyl)cyclopentanamine
CID 104614218
2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine
CID 113433192
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
2-[(oxolan-2-ylmethylamino)methyl]benzene-1,3-diol
CID 45093757
2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide
CID 68614900
N-[(2-butoxy-3-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 54847592
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51990583
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51990581
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7248431
N-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 3219489

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine (CID 104614221) is 1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine is c1cc(CNCC2CCCO2)c2nccnc2c1.
What is the InChIKey of 1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine?
The InChIKey is JSHVFMCBHIQSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-11(9-15-10-12-4-2-8-18-12)14-13(5-1)16-6-7-17-14/h1,3,5-7,12,15H,2,4,8-10H2.
What are the key properties of 1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine?
1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine has a molecular weight of 243.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine is sourced from PubChem (CID 104614221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).