N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine

C12H22N4O — CID 106561605

IUPACN-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine
SMILESCOCCNc1nccn1C1CCN(C)CC1
InChIInChI=1S/C12H22N4O/c1-15-7-3-11(4-8-15)16-9-5-13-12(16)14-6-10-17-2/h5,9,11H,3-4,6-8,10H2,1-2H3,(H,13,14)
InChIKeyXJUAXAUWJSQKCB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.21
Rot. Bonds5

About N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine

N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine (PubChem CID 106561605) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine
PubChem CID106561605
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine
SMILESCOCCNc1nccn1C1CCN(C)CC1
InChIInChI=1S/C12H22N4O/c1-15-7-3-11(4-8-15)16-9-5-13-12(16)14-6-10-17-2/h5,9,11H,3-4,6-8,10H2,1-2H3,(H,13,14)
InChIKeyXJUAXAUWJSQKCB-UHFFFAOYSA-N
XLogP1.21
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583170
N-(2-methoxyethyl)-1-(thian-3-yl)imidazol-2-amine
CID 106582594
N-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine
CID 106566544
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
N-butyl-1-(1-propylpiperidin-4-yl)imidazol-2-amine
CID 106568401
1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106574608
N-(2-methoxyethyl)-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565280
1-cyclopentyl-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565073
1-cycloheptyl-N-(3-ethoxypropyl)imidazol-2-amine
CID 106561258
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396
1-cyclopentyl-N-(2-methylsulfonylethyl)imidazol-2-amine
CID 106563475
1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine
CID 106581393

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine (CID 106561605) is N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine is COCCNc1nccn1C1CCN(C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine?
The InChIKey is XJUAXAUWJSQKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-15-7-3-11(4-8-15)16-9-5-13-12(16)14-6-10-17-2/h5,9,11H,3-4,6-8,10H2,1-2H3,(H,13,14).
What are the key properties of N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine?
N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine has a molecular weight of 238.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine is sourced from PubChem (CID 106561605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).