N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine

C9H17N3O2 — CID 62133824

IUPACN-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine
SMILESCOCCOCCNc1nccn1C
InChIInChI=1S/C9H17N3O2/c1-12-5-3-10-9(12)11-4-6-14-8-7-13-2/h3,5H,4,6-8H2,1-2H3,(H,10,11)
InChIKeyYWRYCLBIZGOSSL-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.50
Rot. Bonds7

About N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine

N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine (PubChem CID 62133824) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine
PubChem CID62133824
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine
SMILESCOCCOCCNc1nccn1C
InChIInChI=1S/C9H17N3O2/c1-12-5-3-10-9(12)11-4-6-14-8-7-13-2/h3,5H,4,6-8H2,1-2H3,(H,10,11)
InChIKeyYWRYCLBIZGOSSL-UHFFFAOYSA-N
XLogP0.50
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.50
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-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106581208
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
N-ethyl-1-[2-(2-methoxyethoxy)ethyl]imidazol-2-amine
CID 106564453
1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine
CID 106581195
N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106554838
1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106556263
N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide
CID 62133096
1-[2-(2-methoxyethoxy)ethyl]-N-prop-2-enylimidazol-2-amine
CID 106564442
N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine
CID 79778277
3-methoxy-2-[(1-methylimidazol-2-yl)amino]propanoic acid
CID 81078507
4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one
CID 102927313
2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol
CID 65108978

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine (CID 62133824) is N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine is COCCOCCNc1nccn1C.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine?
The InChIKey is YWRYCLBIZGOSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-12-5-3-10-9(12)11-4-6-14-8-7-13-2/h3,5H,4,6-8H2,1-2H3,(H,10,11).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine?
N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine has a molecular weight of 199.25 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 62133824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).