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

C15H22N2O — CID 113370645

IUPACN-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(C1=COCCC1)c1ncccc1CC
InChIInChI=1S/C15H22N2O/c1-3-12-7-5-9-17-14(12)15(16-4-2)13-8-6-10-18-11-13/h5,7,9,11,15-16H,3-4,6,8,10H2,1-2H3
InChIKeyNQHKERPYGRUJBA-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.99
Rot. Bonds5

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

N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-2-pyridinyl)methyl]ethanamine (PubChem CID 113370645) 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-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-2-pyridinyl)methyl]ethanamine
PubChem CID113370645
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(C1=COCCC1)c1ncccc1CC
InChIInChI=1S/C15H22N2O/c1-3-12-7-5-9-17-14(12)15(16-4-2)13-8-6-10-18-11-13/h5,7,9,11,15-16H,3-4,6,8,10H2,1-2H3
InChIKeyNQHKERPYGRUJBA-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-methyl-2-pyridinyl)methyl]propan-1-amine
CID 113370548
N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine
CID 113370642
N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine
CID 113370529
N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82732767
N-[(3-ethyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 82732775
N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine
CID 105179292
N-[(3-ethyl-2-pyridinyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 82729895
N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]ethanamine
CID 82731223
N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82729644
N-[3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 105033009
N-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 106654365
N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 106652706

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-2-pyridinyl)methyl]ethanamine (CID 113370645) is N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-2-pyridinyl)methyl]ethanamine is CCNC(C1=COCCC1)c1ncccc1CC.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is NQHKERPYGRUJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-12-7-5-9-17-14(12)15(16-4-2)13-8-6-10-18-11-13/h5,7,9,11,15-16H,3-4,6,8,10H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-2-pyridinyl)methyl]ethanamine?
N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-2-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-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 113370645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).