N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine

C12H21N3O — CID 103988061

IUPACN-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(CC2CCOC2)[nH]1
InChIInChI=1S/C12H21N3O/c1-9(2)13-6-11-7-14-12(15-11)5-10-3-4-16-8-10/h7,9-10,13H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyWEFOWNMOWCHPDF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.49
Rot. Bonds5

About N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine

N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 103988061) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID103988061
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(CC2CCOC2)[nH]1
InChIInChI=1S/C12H21N3O/c1-9(2)13-6-11-7-14-12(15-11)5-10-3-4-16-8-10/h7,9-10,13H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyWEFOWNMOWCHPDF-UHFFFAOYSA-N
XLogP1.49
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(oxolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 65329562
N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 65140442
2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole
CID 170722463
N-[[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 103987716
N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 64986065
N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 80611681
N-[[6-(oxolan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 63556915
N-[[6-methyl-4-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250738
N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 103987982
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 103988030
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085273
N-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine
CID 82237976

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine (CID 103988061) is N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(CC2CCOC2)[nH]1.
What is the InChIKey of N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is WEFOWNMOWCHPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)13-6-11-7-14-12(15-11)5-10-3-4-16-8-10/h7,9-10,13H,3-6,8H2,1-2H3,(H,14,15).
What are the key properties of N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 103988061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).