N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine

C18H22N2O — CID 105179292

IUPACN-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)c1cccc2cccnc12
InChIInChI=1S/C18H22N2O/c1-2-10-19-18(15-8-5-12-21-13-15)16-9-3-6-14-7-4-11-20-17(14)16/h3-4,6-7,9,11,13,18-19H,2,5,8,10,12H2,1H3
InChIKeyRZNKLIZEIQVDDV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.97
Rot. Bonds5

About N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine

N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine (PubChem CID 105179292) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine
PubChem CID105179292
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)c1cccc2cccnc12
InChIInChI=1S/C18H22N2O/c1-2-10-19-18(15-8-5-12-21-13-15)16-9-3-6-14-7-4-11-20-17(14)16/h3-4,6-7,9,11,13,18-19H,2,5,8,10,12H2,1H3
InChIKeyRZNKLIZEIQVDDV-UHFFFAOYSA-N
XLogP3.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,4-dihydro-2H-pyran-5-yl-(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 113370548
N-[furan-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81231183
N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine
CID 105033460
N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81209832
N-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105172512
N-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105179186
N-[(2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 114887427
N-[3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 105033405
N-[(2,5-dibromothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 114022189
N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine
CID 105155523
N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 113370645
N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine
CID 113370529

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine (CID 105179292) is N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine is CCCNC(C1=COCCC1)c1cccc2cccnc12.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine?
The InChIKey is RZNKLIZEIQVDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-10-19-18(15-8-5-12-21-13-15)16-9-3-6-14-7-4-11-20-17(14)16/h3-4,6-7,9,11,13,18-19H,2,5,8,10,12H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine has a molecular weight of 282.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine is sourced from PubChem (CID 105179292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).