N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine

C15H22N2O — CID 113370642

IUPACN-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine
SMILESCCNC(C1=COCCC1)c1ccncc1CC
InChIInChI=1S/C15H22N2O/c1-3-12-10-16-8-7-14(12)15(17-4-2)13-6-5-9-18-11-13/h7-8,10-11,15,17H,3-6,9H2,1-2H3
InChIKeyDYUMFGGVQSCIFQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.99
Rot. Bonds5

About N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine

N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine (PubChem CID 113370642) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine
PubChem CID113370642
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine
SMILESCCNC(C1=COCCC1)c1ccncc1CC
InChIInChI=1S/C15H22N2O/c1-3-12-10-16-8-7-14(12)15(17-4-2)13-6-5-9-18-11-13/h7-8,10-11,15,17H,3-6,9H2,1-2H3
InChIKeyDYUMFGGVQSCIFQ-UHFFFAOYSA-N
XLogP2.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine
CID 106654247
N-[(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 114894935
N-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 107968989
N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 105033280
N-[(4-chloro-2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 105033083
N-[3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 105033009
N-[(4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-4-pyridinyl)methyl]ethanamine
CID 106762905
N-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 105179246
N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine
CID 105179292
N-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105179186

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine (CID 113370642) is N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine is CCNC(C1=COCCC1)c1ccncc1CC.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine?
The InChIKey is DYUMFGGVQSCIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-12-10-16-8-7-14(12)15(17-4-2)13-6-5-9-18-11-13/h7-8,10-11,15,17H,3-6,9H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine?
N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine has a molecular weight of 246.35 g/mol, XLogP of 2.99, 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-(3-ethyl-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 113370642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).