N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine

C17H23N3O — CID 107136382

IUPACN-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2nccnc2c1)C1CCCOC1
InChIInChI=1S/C17H23N3O/c1-2-7-20-17(14-4-3-10-21-12-14)13-5-6-15-16(11-13)19-9-8-18-15/h5-6,8-9,11,14,17,20H,2-4,7,10,12H2,1H3
InChIKeyGDJUYNGYABTREF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.10
Rot. Bonds5

About N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine

N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine (PubChem CID 107136382) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine
PubChem CID107136382
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2nccnc2c1)C1CCCOC1
InChIInChI=1S/C17H23N3O/c1-2-7-20-17(14-4-3-10-21-12-14)13-5-6-15-16(11-13)19-9-8-18-15/h5-6,8-9,11,14,17,20H,2-4,7,10,12H2,1H3
InChIKeyGDJUYNGYABTREF-UHFFFAOYSA-N
XLogP3.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[naphthalen-2-yl(oxan-3-yl)methyl]propan-1-amine
CID 65332373
N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine
CID 81231200
N-[(4-chloro-3-fluorophenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107996097
N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine
CID 107138702
N-[(4-methylsulfanylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107137025
N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107136775
N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine
CID 63012897
N-[[3-(difluoromethoxy)phenyl]-(oxan-3-yl)methyl]propan-1-amine
CID 107139119
N-[cyclohexyl(quinolin-6-yl)methyl]propan-1-amine
CID 63095807
N-[(5-fluoro-2-methylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 65333512
N-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine
CID 64775461
N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139020

Frequently Asked Questions

What is the IUPAC name of N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine?
The IUPAC name of N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine (CID 107136382) is N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine?
The canonical SMILES for N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine is CCCNC(c1ccc2nccnc2c1)C1CCCOC1.
What is the InChIKey of N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine?
The InChIKey is GDJUYNGYABTREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-7-20-17(14-4-3-10-21-12-14)13-5-6-15-16(11-13)19-9-8-18-15/h5-6,8-9,11,14,17,20H,2-4,7,10,12H2,1H3.
What are the key properties of N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine?
N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 107136382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).