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

C9H15N3O — CID 102970245

IUPAC(5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine
SMILESCc1cnc(C(N)C2CCOC2)[nH]1
InChIInChI=1S/C9H15N3O/c1-6-4-11-9(12-6)8(10)7-2-3-13-5-7/h4,7-8H,2-3,5,10H2,1H3,(H,11,12)
InChIKeyAHNLYUBJZAPYBX-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.75
Rot. Bonds2

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

(5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine (PubChem CID 102970245) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine
PubChem CID102970245
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine
SMILESCc1cnc(C(N)C2CCOC2)[nH]1
InChIInChI=1S/C9H15N3O/c1-6-4-11-9(12-6)8(10)7-2-3-13-5-7/h4,7-8H,2-3,5,10H2,1H3,(H,11,12)
InChIKeyAHNLYUBJZAPYBX-UHFFFAOYSA-N
XLogP0.75
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine
CID 102970575
oxolan-3-yl(1H-1,2,4-triazol-5-yl)methanamine
CID 65363411
(2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine
CID 130518971
oxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine
CID 102969999
(4-methylphenyl)-(oxolan-3-yl)methanamine
CID 61271786
2-cyclopentyl-1-(5-methyl-1H-imidazol-2-yl)ethanamine
CID 82401692
oxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine
CID 65363356
5-methyl-N-(oxolan-3-yl)-1H-imidazol-2-amine
CID 106577304
(5-bromopyrimidin-4-yl)-(oxolan-3-yl)methanamine
CID 130565497
oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61330085
(2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine
CID 65330620
(3-methylphenyl)-(oxolan-3-yl)methanamine
CID 63564750

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine?
The IUPAC name of (5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine (CID 102970245) is (5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine is Cc1cnc(C(N)C2CCOC2)[nH]1.
What is the InChIKey of (5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine?
The InChIKey is AHNLYUBJZAPYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-4-11-9(12-6)8(10)7-2-3-13-5-7/h4,7-8H,2-3,5,10H2,1H3,(H,11,12).
What are the key properties of (5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine?
(5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 102970245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).