2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine

C10H17N3O — CID 82726357

IUPAC2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine
SMILESCC1OCCC1NCc1cncn1C
InChIInChI=1S/C10H17N3O/c1-8-10(3-4-14-8)12-6-9-5-11-7-13(9)2/h5,7-8,10,12H,3-4,6H2,1-2H3
InChIKeyJPDSMMWUGFLBMB-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.69
Rot. Bonds3

About 2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine

2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine (PubChem CID 82726357) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine
PubChem CID82726357
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine
SMILESCC1OCCC1NCc1cncn1C
InChIInChI=1S/C10H17N3O/c1-8-10(3-4-14-8)12-6-9-5-11-7-13(9)2/h5,7-8,10,12H,3-4,6H2,1-2H3
InChIKeyJPDSMMWUGFLBMB-UHFFFAOYSA-N
XLogP0.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(2-methylpyrazol-3-yl)methyl]oxolan-3-amine
CID 115335743
1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 115615367
(2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine
CID 130933670
2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 103907127
3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66117502
2,6-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-1-amine
CID 83007117
N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63001278
2,2-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclopentan-1-amine
CID 79831902
1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 63001589
(4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 124699924
N-[(3-methylimidazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761416
3-ethylsulfanyl-N-[(3-methylimidazol-4-yl)methyl]cyclopentan-1-amine
CID 103702404

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine (CID 82726357) is 2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine is CC1OCCC1NCc1cncn1C.
What is the InChIKey of 2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine?
The InChIKey is JPDSMMWUGFLBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-10(3-4-14-8)12-6-9-5-11-7-13(9)2/h5,7-8,10,12H,3-4,6H2,1-2H3.
What are the key properties of 2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine?
2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine has a molecular weight of 195.27 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 82726357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).