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

C8H13N3O — CID 106577304

IUPAC5-methyl-N-(oxolan-3-yl)-1H-imidazol-2-amine
SMILESCc1cnc(NC2CCOC2)[nH]1
InChIInChI=1S/C8H13N3O/c1-6-4-9-8(10-6)11-7-2-3-12-5-7/h4,7H,2-3,5H2,1H3,(H2,9,10,11)
InChIKeyQNCICRHUEJOFGO-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.92
Rot. Bonds2

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

5-methyl-N-(oxolan-3-yl)-1H-imidazol-2-amine (PubChem CID 106577304) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-methyl-N-(oxolan-3-yl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(oxolan-3-yl)-1H-imidazol-2-amine
PubChem CID106577304
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-methyl-N-(oxolan-3-yl)-1H-imidazol-2-amine
SMILESCc1cnc(NC2CCOC2)[nH]1
InChIInChI=1S/C8H13N3O/c1-6-4-9-8(10-6)11-7-2-3-12-5-7/h4,7H,2-3,5H2,1H3,(H2,9,10,11)
InChIKeyQNCICRHUEJOFGO-UHFFFAOYSA-N
XLogP0.92
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-imidazol-2-amine
CID 106578773
5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 169018423
3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine
CID 131042784
N-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 175803601
5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 131122958
N-(oxolan-3-yl)pyrimidin-5-amine
CID 83480544
(5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine
CID 102970245
5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 131065715
1-cyclopropyl-4-methyl-N-(oxolan-3-yl)imidazol-2-amine
CID 106577289
6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126724583
5-N-(oxolan-3-yl)pyridine-2,5-diamine
CID 80717069
2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 80853565

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxolan-3-yl)-1H-imidazol-2-amine?
The IUPAC name of 5-methyl-N-(oxolan-3-yl)-1H-imidazol-2-amine (CID 106577304) is 5-methyl-N-(oxolan-3-yl)-1H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-N-(oxolan-3-yl)-1H-imidazol-2-amine?
The canonical SMILES for 5-methyl-N-(oxolan-3-yl)-1H-imidazol-2-amine is Cc1cnc(NC2CCOC2)[nH]1.
What is the InChIKey of 5-methyl-N-(oxolan-3-yl)-1H-imidazol-2-amine?
The InChIKey is QNCICRHUEJOFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-4-9-8(10-6)11-7-2-3-12-5-7/h4,7H,2-3,5H2,1H3,(H2,9,10,11).
What are the key properties of 5-methyl-N-(oxolan-3-yl)-1H-imidazol-2-amine?
5-methyl-N-(oxolan-3-yl)-1H-imidazol-2-amine has a molecular weight of 167.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxolan-3-yl)-1H-imidazol-2-amine is sourced from PubChem (CID 106577304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).