3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine

C12H19N3O — CID 62469789

IUPAC3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
SMILESCN(Cc1cccnc1N)CC1CCCO1
InChIInChI=1S/C12H19N3O/c1-15(9-11-5-3-7-16-11)8-10-4-2-6-14-12(10)13/h2,4,6,11H,3,5,7-9H2,1H3,(H2,13,14)
InChIKeyNTAHQXIOCOWISF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.27
Rot. Bonds4

About 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine

3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine (PubChem CID 62469789) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
PubChem CID62469789
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
SMILESCN(Cc1cccnc1N)CC1CCCO1
InChIInChI=1S/C12H19N3O/c1-15(9-11-5-3-7-16-11)8-10-4-2-6-14-12(10)13/h2,4,6,11H,3,5,7-9H2,1H3,(H2,13,14)
InChIKeyNTAHQXIOCOWISF-UHFFFAOYSA-N
XLogP1.27
TPSA51.38 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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469581
3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
CID 104540056
2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 112553432
4-chloro-3-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 61430964
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79313468
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62894833
N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86825135
2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline
CID 107274354
3-fluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 63331273
4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 82978354

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine?
The IUPAC name of 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine (CID 62469789) is 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine is CN(Cc1cccnc1N)CC1CCCO1.
What is the InChIKey of 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine?
The InChIKey is NTAHQXIOCOWISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15(9-11-5-3-7-16-11)8-10-4-2-6-14-12(10)13/h2,4,6,11H,3,5,7-9H2,1H3,(H2,13,14).
What are the key properties of 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine?
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 62469789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).