2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine

C12H21N3O — CID 62385869

IUPAC2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
SMILESCn1ccnc1CCNCC1CCOCC1
InChIInChI=1S/C12H21N3O/c1-15-7-6-14-12(15)2-5-13-10-11-3-8-16-9-4-11/h6-7,11,13H,2-5,8-10H2,1H3
InChIKeyGJAYWILQLVWBMT-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.98
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine

2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 62385869) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
PubChem CID62385869
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
SMILESCn1ccnc1CCNCC1CCOCC1
InChIInChI=1S/C12H21N3O/c1-15-7-6-14-12(15)2-5-13-10-11-3-8-16-9-4-11/h6-7,11,13H,2-5,8-10H2,1H3
InChIKeyGJAYWILQLVWBMT-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(oxan-4-ylsulfanylmethyl)imidazole
CID 97243699
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 114530301
2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
CID 106101046
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 113280694
2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 63696362
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65210949
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214727
1,1-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 114527728
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine (CID 62385869) is 2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine is Cn1ccnc1CCNCC1CCOCC1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is GJAYWILQLVWBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-7-6-14-12(15)2-5-13-10-11-3-8-16-9-4-11/h6-7,11,13H,2-5,8-10H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine?
2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 62385869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).