N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine

C12H21N3O — CID 106718607

IUPACN-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCC2CCCO2)cn1
InChIInChI=1S/C12H21N3O/c1-2-13-8-11-9-15(10-14-11)6-5-12-4-3-7-16-12/h9-10,12-13H,2-8H2,1H3
InChIKeyRISTWNUNFFAEFU-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.56
Rot. Bonds6

About N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine

N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine (PubChem CID 106718607) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
PubChem CID106718607
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCC2CCCO2)cn1
InChIInChI=1S/C12H21N3O/c1-2-13-8-11-9-15(10-14-11)6-5-12-4-3-7-16-12/h9-10,12-13H,2-8H2,1H3
InChIKeyRISTWNUNFFAEFU-UHFFFAOYSA-N
XLogP1.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine 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

N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106718975
N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine
CID 79986071
N-[[1-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719035
1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine
CID 106721447
N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]ethanamine
CID 65165577
N-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 114204155
N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine
CID 106718661
N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66194671
N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]ethanamine
CID 79144689
N-[[1-(2-cyclobutylethyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114204494
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 112668905
N-cyclopropyl-2-[4-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 106718782

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine (CID 106718607) is N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine is CCNCc1cn(CCC2CCCO2)cn1.
What is the InChIKey of N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
The InChIKey is RISTWNUNFFAEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-13-8-11-9-15(10-14-11)6-5-12-4-3-7-16-12/h9-10,12-13H,2-8H2,1H3.
What are the key properties of N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106718607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).