1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine

C9H15N3O — CID 62133287

IUPAC1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine
SMILESCn1ccnc1NCC1CCOC1
InChIInChI=1S/C9H15N3O/c1-12-4-3-10-9(12)11-6-8-2-5-13-7-8/h3-4,8H,2,5-7H2,1H3,(H,10,11)
InChIKeyTWNKPTILRDUNQL-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.87
Rot. Bonds3

About 1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine

1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine (PubChem CID 62133287) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine
PubChem CID62133287
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine
SMILESCn1ccnc1NCC1CCOC1
InChIInChI=1S/C9H15N3O/c1-12-4-3-10-9(12)11-6-8-2-5-13-7-8/h3-4,8H,2,5-7H2,1H3,(H,10,11)
InChIKeyTWNKPTILRDUNQL-UHFFFAOYSA-N
XLogP0.87
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 106572421
2-methyl-N-(oxolan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446299
1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine
CID 106566033
4-N-methyl-2-N-(oxolan-3-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80823144
1-methyl-N-(morpholin-2-ylmethyl)imidazol-2-amine
CID 115324160
1,5-dimethyl-N-(oxolan-3-ylmethyl)pyrazol-4-amine
CID 115899682
2,5-dimethyl-N-(oxolan-3-ylmethyl)pyrazol-3-amine
CID 131047869
N-[(4-ethylmorpholin-2-yl)methyl]-1-methylimidazol-2-amine
CID 114400676
5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine
CID 104841332
2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385869
1-methyl-5-(oxolan-3-ylmethylamino)pyridin-2-one
CID 60930649
8-N-(oxolan-3-ylmethyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80825476

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine?
The IUPAC name of 1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine (CID 62133287) is 1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine?
The canonical SMILES for 1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine is Cn1ccnc1NCC1CCOC1.
What is the InChIKey of 1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine?
The InChIKey is TWNKPTILRDUNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-4-3-10-9(12)11-6-8-2-5-13-7-8/h3-4,8H,2,5-7H2,1H3,(H,10,11).
What are the key properties of 1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine?
1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine has a molecular weight of 181.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 62133287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).