1-cyclopropyl-4-methyl-N-(oxolan-3-yl)imidazol-2-amine

C11H17N3O — CID 106577289

IUPAC1-cyclopropyl-4-methyl-N-(oxolan-3-yl)imidazol-2-amine
SMILESCc1cn(C2CC2)c(NC2CCOC2)n1
InChIInChI=1S/C11H17N3O/c1-8-6-14(10-2-3-10)11(12-8)13-9-4-5-15-7-9/h6,9-10H,2-5,7H2,1H3,(H,12,13)
InChIKeyBBDOIBVLDYNSBX-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.73
Rot. Bonds3

About 1-cyclopropyl-4-methyl-N-(oxolan-3-yl)imidazol-2-amine

1-cyclopropyl-4-methyl-N-(oxolan-3-yl)imidazol-2-amine (PubChem CID 106577289) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-cyclopropyl-4-methyl-N-(oxolan-3-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-4-methyl-N-(oxolan-3-yl)imidazol-2-amine
PubChem CID106577289
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-cyclopropyl-4-methyl-N-(oxolan-3-yl)imidazol-2-amine
SMILESCc1cn(C2CC2)c(NC2CCOC2)n1
InChIInChI=1S/C11H17N3O/c1-8-6-14(10-2-3-10)11(12-8)13-9-4-5-15-7-9/h6,9-10H,2-5,7H2,1H3,(H,12,13)
InChIKeyBBDOIBVLDYNSBX-UHFFFAOYSA-N
XLogP1.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methyl-N-(oxolan-3-yl)imidazol-2-amine?
The IUPAC name of 1-cyclopropyl-4-methyl-N-(oxolan-3-yl)imidazol-2-amine (CID 106577289) is 1-cyclopropyl-4-methyl-N-(oxolan-3-yl)imidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-4-methyl-N-(oxolan-3-yl)imidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-4-methyl-N-(oxolan-3-yl)imidazol-2-amine is Cc1cn(C2CC2)c(NC2CCOC2)n1.
What is the InChIKey of 1-cyclopropyl-4-methyl-N-(oxolan-3-yl)imidazol-2-amine?
The InChIKey is BBDOIBVLDYNSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-6-14(10-2-3-10)11(12-8)13-9-4-5-15-7-9/h6,9-10H,2-5,7H2,1H3,(H,12,13).
What are the key properties of 1-cyclopropyl-4-methyl-N-(oxolan-3-yl)imidazol-2-amine?
1-cyclopropyl-4-methyl-N-(oxolan-3-yl)imidazol-2-amine has a molecular weight of 207.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methyl-N-(oxolan-3-yl)imidazol-2-amine is sourced from PubChem (CID 106577289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).