N-(2-methoxyethyl)-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine

C13H24N4O — CID 106565280

IUPACN-(2-methoxyethyl)-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
SMILESCOCCNc1nccn1CC1CCCCN1C
InChIInChI=1S/C13H24N4O/c1-16-8-4-3-5-12(16)11-17-9-6-14-13(17)15-7-10-18-2/h6,9,12H,3-5,7-8,10-11H2,1-2H3,(H,14,15)
InChIKeyXXVYHUVRRQENKM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.43
Rot. Bonds6

About N-(2-methoxyethyl)-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine

N-(2-methoxyethyl)-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine (PubChem CID 106565280) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
PubChem CID106565280
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(2-methoxyethyl)-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
SMILESCOCCNc1nccn1CC1CCCCN1C
InChIInChI=1S/C13H24N4O/c1-16-8-4-3-5-12(16)11-17-9-6-14-13(17)15-7-10-18-2/h6,9,12H,3-5,7-8,10-11H2,1-2H3,(H,14,15)
InChIKeyXXVYHUVRRQENKM-UHFFFAOYSA-N
XLogP1.43
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.43
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-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565244
N-(2-cyclohexyloxyethyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106573338
N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576813
1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565238
N'-cyclopentyl-N-[1-(2-methoxyethyl)imidazol-2-yl]-N'-methylethane-1,2-diamine
CID 106573132
N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine
CID 106561605
N-(cyclobutylmethyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106561470
N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571770
N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567498
N,4-dimethyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565242
1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106583274
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine (CID 106565280) is N-(2-methoxyethyl)-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine is COCCNc1nccn1CC1CCCCN1C.
What is the InChIKey of N-(2-methoxyethyl)-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine?
The InChIKey is XXVYHUVRRQENKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-16-8-4-3-5-12(16)11-17-9-6-14-13(17)15-7-10-18-2/h6,9,12H,3-5,7-8,10-11H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methoxyethyl)-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine?
N-(2-methoxyethyl)-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.43, 6 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-2-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106565280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).