N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine

C12H21N3O — CID 104531118

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCCc1nccn1C)C1CCCO1
InChIInChI=1S/C12H21N3O/c1-10(11-4-3-9-16-11)13-6-5-12-14-7-8-15(12)2/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyJMBUCIAYJMSOLX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.12
Rot. Bonds5

About N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine

N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 104531118) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine
PubChem CID104531118
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCCc1nccn1C)C1CCCO1
InChIInChI=1S/C12H21N3O/c1-10(11-4-3-9-16-11)13-6-5-12-14-7-8-15(12)2/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyJMBUCIAYJMSOLX-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 61215311
3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol
CID 115838015
1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione
CID 62927199
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 61212039
1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine
CID 62579205
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-2-amine
CID 61213705
4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol
CID 61214125
N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61039260
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 63750927
(1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81386227
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612667

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine (CID 104531118) is N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine is CC(NCCc1nccn1C)C1CCCO1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is JMBUCIAYJMSOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(11-4-3-9-16-11)13-6-5-12-14-7-8-15(12)2/h7-8,10-11,13H,3-6,9H2,1-2H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 104531118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).