N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine

C12H23N3O — CID 62222189

IUPACN-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCOCCn1ccnc1CNC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-5-16-9-8-15-7-6-13-11(15)10-14-12(2,3)4/h6-7,14H,5,8-10H2,1-4H3
InChIKeyZQTPTUARCCHVGH-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.81
Rot. Bonds6

About N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62222189) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62222189
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCOCCn1ccnc1CNC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-5-16-9-8-15-7-6-13-11(15)10-14-12(2,3)4/h6-7,14H,5,8-10H2,1-4H3
InChIKeyZQTPTUARCCHVGH-UHFFFAOYSA-N
XLogP1.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.81
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

N-[[1-(ethoxymethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65369489
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine
CID 62222724
N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62221842
N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65097886
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036
2-methyl-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-2-yl]methyl]propan-2-amine
CID 82891583
N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine
CID 106455233
2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine
CID 113326667
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine
CID 65181164
2-[2-[2-(ethylaminomethyl)imidazol-1-yl]ethoxy]ethanol
CID 62221793
4-[2-[(tert-butylamino)methyl]imidazol-1-yl]butanenitrile
CID 62221300
3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide
CID 62325908

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine (CID 62222189) is N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine is CCOCCn1ccnc1CNC(C)(C)C.
What is the InChIKey of N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZQTPTUARCCHVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-16-9-8-15-7-6-13-11(15)10-14-12(2,3)4/h6-7,14H,5,8-10H2,1-4H3.
What are the key properties of N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62222189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).