1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine

C12H21N3O — CID 106721143

IUPAC1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(CC2CCOCC2)cn1
InChIInChI=1S/C12H21N3O/c1-10(13)6-12-8-15(9-14-12)7-11-2-4-16-5-3-11/h8-11H,2-7,13H2,1H3
InChIKeyHFCBHSVGHPXWAL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.20
Rot. Bonds4

About 1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine

1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine (PubChem CID 106721143) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine
PubChem CID106721143
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(CC2CCOCC2)cn1
InChIInChI=1S/C12H21N3O/c1-10(13)6-12-8-15(9-14-12)7-11-2-4-16-5-3-11/h8-11H,2-7,13H2,1H3
InChIKeyHFCBHSVGHPXWAL-UHFFFAOYSA-N
XLogP1.20
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-1-(oxan-4-ylmethyl)imidazole
CID 106720726
1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
CID 59827554
1-[1-(oxolan-3-yl)imidazol-4-yl]propan-2-amine
CID 106721070
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]propan-2-amine
CID 106721215
1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088149
1-(oxan-4-ylmethyl)-4-phenylimidazole
CID 167444782
1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine
CID 106721122
1-(1-cyclohexylimidazol-4-yl)propan-2-amine
CID 83883478
1-(1-octylimidazol-4-yl)propan-2-amine
CID 106721019
1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine
CID 62731505
1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine
CID 106721170
[1-(cyclobutylmethyl)imidazol-4-yl]methanol
CID 130482091

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine (CID 106721143) is 1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine is CC(N)Cc1cn(CC2CCOCC2)cn1.
What is the InChIKey of 1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine?
The InChIKey is HFCBHSVGHPXWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(13)6-12-8-15(9-14-12)7-11-2-4-16-5-3-11/h8-11H,2-7,13H2,1H3.
What are the key properties of 1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine?
1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 106721143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).