N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine

C13H18N2O — CID 62064372

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine
SMILESCC(NCC1CCC=CO1)c1cccnc1
InChIInChI=1S/C13H18N2O/c1-11(12-5-4-7-14-9-12)15-10-13-6-2-3-8-16-13/h3-5,7-9,11,13,15H,2,6,10H2,1H3
InChIKeyJJMMZUMPCFJJEW-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.42
Rot. Bonds4

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine (PubChem CID 62064372) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine
PubChem CID62064372
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine
SMILESCC(NCC1CCC=CO1)c1cccnc1
InChIInChI=1S/C13H18N2O/c1-11(12-5-4-7-14-9-12)15-10-13-6-2-3-8-16-13/h3-5,7-9,11,13,15H,2,6,10H2,1H3
InChIKeyJJMMZUMPCFJJEW-UHFFFAOYSA-N
XLogP2.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81376644
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 62064923
(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404067
N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 43403760
(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81370528
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 102848150
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 43204657
(1R)-N-[(3-methylcyclohexyl)methyl]-1-pyridin-3-ylethanamine
CID 81404492
methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-phenylacetate
CID 55036207
2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 115623727
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 61208112
(1S)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-phenyl-2-pyridin-2-ylethanamine
CID 100687819

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine (CID 62064372) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine is CC(NCC1CCC=CO1)c1cccnc1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine?
The InChIKey is JJMMZUMPCFJJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(12-5-4-7-14-9-12)15-10-13-6-2-3-8-16-13/h3-5,7-9,11,13,15H,2,6,10H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine has a molecular weight of 218.30 g/mol, XLogP of 2.42, 4 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-2-ylmethyl)-1-pyridin-3-ylethanamine is sourced from PubChem (CID 62064372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).