2-methyl-N-[[1-(oxolan-3-yl)imidazol-4-yl]methyl]propan-1-amine

C12H21N3O — CID 106720066

IUPAC2-methyl-N-[[1-(oxolan-3-yl)imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cn(C2CCOC2)cn1
InChIInChI=1S/C12H21N3O/c1-10(2)5-13-6-11-7-15(9-14-11)12-3-4-16-8-12/h7,9-10,12-13H,3-6,8H2,1-2H3
InChIKeyZOOUBSAAVZOHQR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.59
Rot. Bonds5

About 2-methyl-N-[[1-(oxolan-3-yl)imidazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[1-(oxolan-3-yl)imidazol-4-yl]methyl]propan-1-amine (PubChem CID 106720066) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-N-[[1-(oxolan-3-yl)imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(oxolan-3-yl)imidazol-4-yl]methyl]propan-1-amine
PubChem CID106720066
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-methyl-N-[[1-(oxolan-3-yl)imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cn(C2CCOC2)cn1
InChIInChI=1S/C12H21N3O/c1-10(2)5-13-6-11-7-15(9-14-11)12-3-4-16-8-12/h7,9-10,12-13H,3-6,8H2,1-2H3
InChIKeyZOOUBSAAVZOHQR-UHFFFAOYSA-N
XLogP1.59
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(oxolan-3-yl)imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(oxolan-3-yl)imidazol-4-yl]methyl]propan-1-amine (CID 106720066) is 2-methyl-N-[[1-(oxolan-3-yl)imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(oxolan-3-yl)imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(oxolan-3-yl)imidazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1cn(C2CCOC2)cn1.
What is the InChIKey of 2-methyl-N-[[1-(oxolan-3-yl)imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is ZOOUBSAAVZOHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)5-13-6-11-7-15(9-14-11)12-3-4-16-8-12/h7,9-10,12-13H,3-6,8H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-(oxolan-3-yl)imidazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(oxolan-3-yl)imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(oxolan-3-yl)imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 106720066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).