N-(4-chlorooxolan-3-yl)-1-methylimidazol-2-amine

C8H12ClN3O — CID 130679234

IUPACN-(4-chlorooxolan-3-yl)-1-methylimidazol-2-amine
SMILESCn1ccnc1NC1COCC1Cl
InChIInChI=1S/C8H12ClN3O/c1-12-3-2-10-8(12)11-7-5-13-4-6(7)9/h2-3,6-7H,4-5H2,1H3,(H,10,11)
InChIKeyYQNRIKGKJYJXGR-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.84
Rot. Bonds2

About N-(4-chlorooxolan-3-yl)-1-methylimidazol-2-amine

N-(4-chlorooxolan-3-yl)-1-methylimidazol-2-amine (PubChem CID 130679234) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is N-(4-chlorooxolan-3-yl)-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorooxolan-3-yl)-1-methylimidazol-2-amine
PubChem CID130679234
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC NameN-(4-chlorooxolan-3-yl)-1-methylimidazol-2-amine
SMILESCn1ccnc1NC1COCC1Cl
InChIInChI=1S/C8H12ClN3O/c1-12-3-2-10-8(12)11-7-5-13-4-6(7)9/h2-3,6-7H,4-5H2,1H3,(H,10,11)
InChIKeyYQNRIKGKJYJXGR-UHFFFAOYSA-N
XLogP0.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(2-methylcyclohexyl)imidazol-2-amine
CID 62132741
1-N-(1-methylimidazol-2-yl)cyclopentane-1,2-diamine
CID 63252580
N-cyclohexyl-1-methylimidazol-2-amine
CID 57183550
N-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62133317
1-methyl-N-(2-phenylcyclopropyl)imidazol-2-amine
CID 62133656
N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62133315
1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
CID 62133635
2,2,3-trimethyl-4-[(1-methylimidazol-2-yl)amino]cyclohexane-1-carboxylic acid
CID 102628071
1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine
CID 62133287
1-methyl-N-(thiolan-3-yl)imidazol-2-amine
CID 103063471
1-ethyl-N-(1-methylimidazol-2-yl)piperidin-3-amine
CID 62133127
4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid
CID 66240502

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorooxolan-3-yl)-1-methylimidazol-2-amine?
The IUPAC name of N-(4-chlorooxolan-3-yl)-1-methylimidazol-2-amine (CID 130679234) is N-(4-chlorooxolan-3-yl)-1-methylimidazol-2-amine.
What is the SMILES notation for N-(4-chlorooxolan-3-yl)-1-methylimidazol-2-amine?
The canonical SMILES for N-(4-chlorooxolan-3-yl)-1-methylimidazol-2-amine is Cn1ccnc1NC1COCC1Cl.
What is the InChIKey of N-(4-chlorooxolan-3-yl)-1-methylimidazol-2-amine?
The InChIKey is YQNRIKGKJYJXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-12-3-2-10-8(12)11-7-5-13-4-6(7)9/h2-3,6-7H,4-5H2,1H3,(H,10,11).
What are the key properties of N-(4-chlorooxolan-3-yl)-1-methylimidazol-2-amine?
N-(4-chlorooxolan-3-yl)-1-methylimidazol-2-amine has a molecular weight of 201.66 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorooxolan-3-yl)-1-methylimidazol-2-amine is sourced from PubChem (CID 130679234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).