3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine

C12H19N3O — CID 103987130

IUPAC3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine
SMILESCNC(CC1CCOC1)c1cnccc1N
InChIInChI=1S/C12H19N3O/c1-14-12(6-9-3-5-16-8-9)10-7-15-4-2-11(10)13/h2,4,7,9,12,14H,3,5-6,8H2,1H3,(H2,13,15)
InChIKeyOWUHLTYUWGASDS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.35
Rot. Bonds4

About 3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine

3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine (PubChem CID 103987130) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine
PubChem CID103987130
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine
SMILESCNC(CC1CCOC1)c1cnccc1N
InChIInChI=1S/C12H19N3O/c1-14-12(6-9-3-5-16-8-9)10-7-15-4-2-11(10)13/h2,4,7,9,12,14H,3,5-6,8H2,1H3,(H2,13,15)
InChIKeyOWUHLTYUWGASDS-UHFFFAOYSA-N
XLogP1.35
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(ethylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine
CID 103987393
N-methyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103986918
N-methyl-2-(oxolan-3-yl)-1-pyrazin-2-ylethanamine
CID 103986939
1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986436
5-methyl-3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-2-amine
CID 113362130
3-[1-(methylamino)but-3-enyl]pyridin-4-amine
CID 116660648
3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine
CID 65138823
N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 113362151
1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 113362110
N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103987178
N-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine
CID 62600624
1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987048

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine?
The IUPAC name of 3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine (CID 103987130) is 3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine is CNC(CC1CCOC1)c1cnccc1N.
What is the InChIKey of 3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine?
The InChIKey is OWUHLTYUWGASDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14-12(6-9-3-5-16-8-9)10-7-15-4-2-11(10)13/h2,4,7,9,12,14H,3,5-6,8H2,1H3,(H2,13,15).
What are the key properties of 3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine?
3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine has a molecular weight of 221.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 103987130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).