N-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine

C12H19N3O — CID 62600624

IUPACN-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine
SMILESCNC(CC1CCOCC1)c1cnccn1
InChIInChI=1S/C12H19N3O/c1-13-11(12-9-14-4-5-15-12)8-10-2-6-16-7-3-10/h4-5,9-11,13H,2-3,6-8H2,1H3
InChIKeyJWPQIWHDPVAWAN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.55
Rot. Bonds4

About N-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine

N-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine (PubChem CID 62600624) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine
PubChem CID62600624
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine
SMILESCNC(CC1CCOCC1)c1cnccn1
InChIInChI=1S/C12H19N3O/c1-13-11(12-9-14-4-5-15-12)8-10-2-6-16-7-3-10/h4-5,9-11,13H,2-3,6-8H2,1H3
InChIKeyJWPQIWHDPVAWAN-UHFFFAOYSA-N
XLogP1.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(oxolan-3-yl)-1-pyrazin-2-ylethanamine
CID 103986939
N-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105138589
N-methyl-2-(oxan-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126815
2-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-pyrazin-2-ylethanamine
CID 115415291
N-methyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103986918
1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 103444184
(3R)-3-(methylamino)-3-pyrazin-2-ylpropan-1-ol
CID 96762763
3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine
CID 103987130
1-(4-ethylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 64775844
1-cyclopentyl-N-methyl-1-pyrazin-2-ylmethanamine
CID 60818557
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846765
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 107968191

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine?
The IUPAC name of N-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine (CID 62600624) is N-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine.
What is the SMILES notation for N-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine?
The canonical SMILES for N-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine is CNC(CC1CCOCC1)c1cnccn1.
What is the InChIKey of N-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine?
The InChIKey is JWPQIWHDPVAWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-13-11(12-9-14-4-5-15-12)8-10-2-6-16-7-3-10/h4-5,9-11,13H,2-3,6-8H2,1H3.
What are the key properties of N-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine?
N-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 62600624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).