N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine

C11H19N3O — CID 115655308

IUPACN-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NCc1cncn1C)C1CCOC1
InChIInChI=1S/C11H19N3O/c1-9(10-3-4-15-7-10)13-6-11-5-12-8-14(11)2/h5,8-10,13H,3-4,6-7H2,1-2H3
InChIKeyONSSLQOHVBCJBK-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.93
Rot. Bonds4

About N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine

N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 115655308) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
PubChem CID115655308
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NCc1cncn1C)C1CCOC1
InChIInChI=1S/C11H19N3O/c1-9(10-3-4-15-7-10)13-6-11-5-12-8-14(11)2/h5,8-10,13H,3-4,6-7H2,1-2H3
InChIKeyONSSLQOHVBCJBK-UHFFFAOYSA-N
XLogP0.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655247
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115684441
1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 103700538
2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol
CID 66117228
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 103777540
2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid
CID 66116524
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115699091
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112690593
(1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 81387906
N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655120
N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66152227

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine (CID 115655308) is N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine is CC(NCc1cncn1C)C1CCOC1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is ONSSLQOHVBCJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(10-3-4-15-7-10)13-6-11-5-12-8-14(11)2/h5,8-10,13H,3-4,6-7H2,1-2H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine?
N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115655308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).