4-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]oxolan-3-amine

C10H17N3O — CID 164662333

IUPAC4-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]oxolan-3-amine
SMILESCc1ncc(CNC2COCC2C)[nH]1
InChIInChI=1S/C10H17N3O/c1-7-5-14-6-10(7)12-4-9-3-11-8(2)13-9/h3,7,10,12H,4-6H2,1-2H3,(H,11,13)
InChIKeyUTSZUSFMFHBRJE-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.84
Rot. Bonds3

About 4-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]oxolan-3-amine

4-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]oxolan-3-amine (PubChem CID 164662333) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]oxolan-3-amine
PubChem CID164662333
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]oxolan-3-amine
SMILESCc1ncc(CNC2COCC2C)[nH]1
InChIInChI=1S/C10H17N3O/c1-7-5-14-6-10(7)12-4-9-3-11-8(2)13-9/h3,7,10,12H,4-6H2,1-2H3,(H,11,13)
InChIKeyUTSZUSFMFHBRJE-UHFFFAOYSA-N
XLogP0.84
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methoxyethyl)-5-methyl-2-(pyrrolidin-3-YL)-1H-imidazole
CID 86820584
1-(3-Methoxypropyl)-5-methyl-2-(pyrrolidin-3-YL)-1H-imidazole
CID 86820588
(2S)-N-[(1-ethylimidazol-4-yl)methyl]-3-methoxybutan-2-amine
CID 138020874
1,9-Di-4-imidazolyl-2,8-diaza-5-oxanonane
CID 23422520
N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63000734
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63000956
2-methoxy-N-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 63109596
2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 65171670
N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 65171710
2-methoxy-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]ethanamine
CID 65172140
2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 65172290
2-methyl-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine
CID 65172339

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]oxolan-3-amine?
The IUPAC name of 4-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]oxolan-3-amine (CID 164662333) is 4-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 4-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]oxolan-3-amine?
The canonical SMILES for 4-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]oxolan-3-amine is Cc1ncc(CNC2COCC2C)[nH]1.
What is the InChIKey of 4-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]oxolan-3-amine?
The InChIKey is UTSZUSFMFHBRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-5-14-6-10(7)12-4-9-3-11-8(2)13-9/h3,7,10,12H,4-6H2,1-2H3,(H,11,13).
What are the key properties of 4-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]oxolan-3-amine?
4-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]oxolan-3-amine has a molecular weight of 195.27 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 164662333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).