4-methyl-1-(2-methylpropyl)-N-(oxan-3-yl)imidazol-2-amine

C13H23N3O — CID 106573246

IUPAC4-methyl-1-(2-methylpropyl)-N-(oxan-3-yl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(NC2CCCOC2)n1
InChIInChI=1S/C13H23N3O/c1-10(2)7-16-8-11(3)14-13(16)15-12-5-4-6-17-9-12/h8,10,12H,4-7,9H2,1-3H3,(H,14,15)
InChIKeyFGPXWDMQTATGOA-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.44
Rot. Bonds4

About 4-methyl-1-(2-methylpropyl)-N-(oxan-3-yl)imidazol-2-amine

4-methyl-1-(2-methylpropyl)-N-(oxan-3-yl)imidazol-2-amine (PubChem CID 106573246) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropyl)-N-(oxan-3-yl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methylpropyl)-N-(oxan-3-yl)imidazol-2-amine
PubChem CID106573246
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-methyl-1-(2-methylpropyl)-N-(oxan-3-yl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(NC2CCCOC2)n1
InChIInChI=1S/C13H23N3O/c1-10(2)7-16-8-11(3)14-13(16)15-12-5-4-6-17-9-12/h8,10,12H,4-7,9H2,1-3H3,(H,14,15)
InChIKeyFGPXWDMQTATGOA-UHFFFAOYSA-N
XLogP2.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554938
N-cyclohexyl-1-(2-cyclopropylpropyl)-4-methylimidazol-2-amine
CID 106580223
1-(2-methoxyethyl)-4-methyl-N-(oxolan-3-yl)imidazol-2-amine
CID 106577277
N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine
CID 106578468
1-cyclopropyl-4-methyl-N-(oxolan-3-yl)imidazol-2-amine
CID 106577289
N-cyclooctyl-4-methyl-1-propylimidazol-2-amine
CID 106557173
N-cyclohexyl-4-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-amine
CID 106570476
N-cyclopentyl-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106554830
N-cyclopentyl-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554862
1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea
CID 75423072
4-methyl-1-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106569158
1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine
CID 115777715

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpropyl)-N-(oxan-3-yl)imidazol-2-amine?
The IUPAC name of 4-methyl-1-(2-methylpropyl)-N-(oxan-3-yl)imidazol-2-amine (CID 106573246) is 4-methyl-1-(2-methylpropyl)-N-(oxan-3-yl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(2-methylpropyl)-N-(oxan-3-yl)imidazol-2-amine?
The canonical SMILES for 4-methyl-1-(2-methylpropyl)-N-(oxan-3-yl)imidazol-2-amine is Cc1cn(CC(C)C)c(NC2CCCOC2)n1.
What is the InChIKey of 4-methyl-1-(2-methylpropyl)-N-(oxan-3-yl)imidazol-2-amine?
The InChIKey is FGPXWDMQTATGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)7-16-8-11(3)14-13(16)15-12-5-4-6-17-9-12/h8,10,12H,4-7,9H2,1-3H3,(H,14,15).
What are the key properties of 4-methyl-1-(2-methylpropyl)-N-(oxan-3-yl)imidazol-2-amine?
4-methyl-1-(2-methylpropyl)-N-(oxan-3-yl)imidazol-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpropyl)-N-(oxan-3-yl)imidazol-2-amine is sourced from PubChem (CID 106573246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).