N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine

C18H24N2O — CID 107138702

IUPACN-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc2ccccc12)C1CCCOC1
InChIInChI=1S/C18H24N2O/c1-2-10-20-18(14-6-5-12-21-13-14)16-9-11-19-17-8-4-3-7-15(16)17/h3-4,7-9,11,14,18,20H,2,5-6,10,12-13H2,1H3
InChIKeyADZSZTNTOBWFSP-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.70
Rot. Bonds5

About N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine

N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine (PubChem CID 107138702) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine
PubChem CID107138702
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc2ccccc12)C1CCCOC1
InChIInChI=1S/C18H24N2O/c1-2-10-20-18(14-6-5-12-21-13-14)16-9-11-19-17-8-4-3-7-15(16)17/h3-4,7-9,11,14,18,20H,2,5-6,10,12-13H2,1H3
InChIKeyADZSZTNTOBWFSP-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine
CID 105147197
N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139020
N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine
CID 107136382
N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107136775
N-[cyclopropyl(quinolin-4-yl)methyl]ethanamine
CID 105157242
N-[naphthalen-2-yl(oxan-3-yl)methyl]propan-1-amine
CID 65332373
N-[(5-fluoro-2-methylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 65333512
N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 63013091
N-[(1-methylimidazol-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107978055
N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 63010878
N-[(5-bromo-2-chlorophenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107138915
N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine
CID 65330638

Frequently Asked Questions

What is the IUPAC name of N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine (CID 107138702) is N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine is CCCNC(c1ccnc2ccccc12)C1CCCOC1.
What is the InChIKey of N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine?
The InChIKey is ADZSZTNTOBWFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-10-20-18(14-6-5-12-21-13-14)16-9-11-19-17-8-4-3-7-15(16)17/h3-4,7-9,11,14,18,20H,2,5-6,10,12-13H2,1H3.
What are the key properties of N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine?
N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 107138702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).