N-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine

C11H19N3O2 — CID 115629596

IUPACN-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine
SMILESc1c[nH]c(CNCCOCC2CCCO2)n1
InChIInChI=1S/C11H19N3O2/c1-2-10(16-6-1)9-15-7-5-12-8-11-13-3-4-14-11/h3-4,10,12H,1-2,5-9H2,(H,13,14)
InChIKeyINXNRYTZNXKFGD-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.69
Rot. Bonds7

About N-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine

N-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine (PubChem CID 115629596) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine
PubChem CID115629596
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine
SMILESc1c[nH]c(CNCCOCC2CCCO2)n1
InChIInChI=1S/C11H19N3O2/c1-2-10(16-6-1)9-15-7-5-12-8-11-13-3-4-14-11/h3-4,10,12H,1-2,5-9H2,(H,13,14)
InChIKeyINXNRYTZNXKFGD-UHFFFAOYSA-N
XLogP0.69
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)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

3-(oxolan-2-ylmethoxy)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 62762499
2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62572494
3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 62760624
N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine
CID 97079648
3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine
CID 97215805
2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine
CID 62572497
N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine
CID 62572652
N',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine
CID 62573118
N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine
CID 55088440
N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62567695
N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 114936359
N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182486

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine (CID 115629596) is N-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine is c1c[nH]c(CNCCOCC2CCCO2)n1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine?
The InChIKey is INXNRYTZNXKFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-10(16-6-1)9-15-7-5-12-8-11-13-3-4-14-11/h3-4,10,12H,1-2,5-9H2,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine?
N-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine has a molecular weight of 225.29 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine is sourced from PubChem (CID 115629596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).