N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine

C11H19N3O — CID 65164054

IUPACN-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine
SMILESc1cn(CCNCCC2CCCO2)cn1
InChIInChI=1S/C11H19N3O/c1-2-11(15-9-1)3-4-12-5-7-14-8-6-13-10-14/h6,8,10-12H,1-5,7,9H2
InChIKeyCZKNKXKOSWUNMT-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.04
Rot. Bonds6

About N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine

N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine (PubChem CID 65164054) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine
PubChem CID65164054
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine
SMILESc1cn(CCNCCC2CCCO2)cn1
InChIInChI=1S/C11H19N3O/c1-2-11(15-9-1)3-4-12-5-7-14-8-6-13-10-14/h6,8,10-12H,1-5,7,9H2
InChIKeyCZKNKXKOSWUNMT-UHFFFAOYSA-N
XLogP1.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)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-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 55024503
1-imidazol-1-yl-N-(oxolan-2-ylmethyl)propan-2-amine
CID 61482334
1-(3-imidazol-1-ylpropyl)-2-(oxolan-2-ylmethyl)guanidine
CID 110913905
N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide
CID 77082155
4-imidazol-1-yl-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]butanamide
CID 99790250
N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61039260
3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 114136924
N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 94018328
4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide
CID 125158263
2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 62659083
2-imidazol-1-yl-N-(piperidin-3-ylmethyl)ethanamine
CID 80555335
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine (CID 65164054) is N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine is c1cn(CCNCCC2CCCO2)cn1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is CZKNKXKOSWUNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-11(15-9-1)3-4-12-5-7-14-8-6-13-10-14/h6,8,10-12H,1-5,7,9H2.
What are the key properties of N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine?
N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65164054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).