3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol

C12H18N2O2 — CID 104756694

IUPAC3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol
SMILESCc1ccc(CNCC2(O)CCOC2)cn1
InChIInChI=1S/C12H18N2O2/c1-10-2-3-11(7-14-10)6-13-8-12(15)4-5-16-9-12/h2-3,7,13,15H,4-6,8-9H2,1H3
InChIKeyKDPWIQPPXFAWGT-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.63
Rot. Bonds4

About 3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol

3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol (PubChem CID 104756694) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol
PubChem CID104756694
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol
SMILESCc1ccc(CNCC2(O)CCOC2)cn1
InChIInChI=1S/C12H18N2O2/c1-10-2-3-11(7-14-10)6-13-8-12(15)4-5-16-9-12/h2-3,7,13,15H,4-6,8-9H2,1H3
InChIKeyKDPWIQPPXFAWGT-UHFFFAOYSA-N
XLogP0.63
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480
3-[[(4-methylsulfanylphenyl)methylamino]methyl]oxolan-3-ol
CID 103848331
3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 64891810
3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol
CID 115765976
N-[(1-ethylcyclopropyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756472
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338499
1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 104756480
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
3-[[(4-chloro-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848346
3-[[[4-(trifluoromethylsulfanyl)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848427
3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 103848292
N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756789

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol (CID 104756694) is 3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol is Cc1ccc(CNCC2(O)CCOC2)cn1.
What is the InChIKey of 3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol?
The InChIKey is KDPWIQPPXFAWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10-2-3-11(7-14-10)6-13-8-12(15)4-5-16-9-12/h2-3,7,13,15H,4-6,8-9H2,1H3.
What are the key properties of 3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol?
3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol has a molecular weight of 222.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 104756694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).