[1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine

C12H19N3O — CID 116882148

IUPAC[1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
SMILESNCC1(c2ncc(C3CCOCC3)[nH]2)CC1
InChIInChI=1S/C12H19N3O/c13-8-12(3-4-12)11-14-7-10(15-11)9-1-5-16-6-2-9/h7,9H,1-6,8,13H2,(H,14,15)
InChIKeyLKRAXYCGPZDJRK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.29
Rot. Bonds3

About [1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine

[1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine (PubChem CID 116882148) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
PubChem CID116882148
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
SMILESNCC1(c2ncc(C3CCOCC3)[nH]2)CC1
InChIInChI=1S/C12H19N3O/c13-8-12(3-4-12)11-14-7-10(15-11)9-1-5-16-6-2-9/h7,9H,1-6,8,13H2,(H,14,15)
InChIKeyLKRAXYCGPZDJRK-UHFFFAOYSA-N
XLogP1.29
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-cyclobutyl-1H-imidazol-2-yl)cyclopropyl]methanol
CID 116882068
1-[5-(oxolan-3-yl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 105496720
3-[5-(oxan-4-yl)-1H-imidazol-2-yl]oxetane-3-carboxylic acid
CID 116882621
[3-(5-cyclohexyl-1H-imidazol-2-yl)oxetan-3-yl]methanol
CID 116882692
2-(chloromethyl)-5-(oxan-4-yl)-1H-imidazole
CID 116878137
3-methyl-3-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine
CID 116877174
3-methyl-2-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine
CID 116883007
N-methyl-1-[1-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882213
[1-(5-propyl-1H-imidazol-2-yl)cyclopropyl]methanamine
CID 116882071
[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine
CID 116902577
2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine
CID 116877282
3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880224

Frequently Asked Questions

What is the IUPAC name of [1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine (CID 116882148) is [1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine is NCC1(c2ncc(C3CCOCC3)[nH]2)CC1.
What is the InChIKey of [1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The InChIKey is LKRAXYCGPZDJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-8-12(3-4-12)11-14-7-10(15-11)9-1-5-16-6-2-9/h7,9H,1-6,8,13H2,(H,14,15).
What are the key properties of [1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
[1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116882148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).