N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine

C13H20N2O — CID 43403760

IUPACN-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine
SMILESCC(NCC1CCCCO1)c1cccnc1
InChIInChI=1S/C13H20N2O/c1-11(12-5-4-7-14-9-12)15-10-13-6-2-3-8-16-13/h4-5,7,9,11,13,15H,2-3,6,8,10H2,1H3
InChIKeyCUSUZYCSBCUFBQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.30
Rot. Bonds4

About N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine

N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine (PubChem CID 43403760) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine
PubChem CID43403760
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine
SMILESCC(NCC1CCCCO1)c1cccnc1
InChIInChI=1S/C13H20N2O/c1-11(12-5-4-7-14-9-12)15-10-13-6-2-3-8-16-13/h4-5,7,9,11,13,15H,2-3,6,8,10H2,1H3
InChIKeyCUSUZYCSBCUFBQ-UHFFFAOYSA-N
XLogP2.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404067
2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile
CID 61005449
methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate
CID 54890054
1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014093
1-(3-bromophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54949073
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 102848150
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62064372
(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81409334
1-(furan-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 43403758
2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine
CID 54940930
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine?
The IUPAC name of N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine (CID 43403760) is N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine?
The canonical SMILES for N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine is CC(NCC1CCCCO1)c1cccnc1.
What is the InChIKey of N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine?
The InChIKey is CUSUZYCSBCUFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(12-5-4-7-14-9-12)15-10-13-6-2-3-8-16-13/h4-5,7,9,11,13,15H,2-3,6,8,10H2,1H3.
What are the key properties of N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine?
N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine has a molecular weight of 220.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine is sourced from PubChem (CID 43403760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).