N-ethyl-1-(4-methoxybutyl)imidazol-2-amine

C10H19N3O — CID 106565023

IUPACN-ethyl-1-(4-methoxybutyl)imidazol-2-amine
SMILESCCNc1nccn1CCCCOC
InChIInChI=1S/C10H19N3O/c1-3-11-10-12-6-8-13(10)7-4-5-9-14-2/h6,8H,3-5,7,9H2,1-2H3,(H,11,12)
InChIKeyLLVMFGAZTHCISB-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.74
Rot. Bonds7

About N-ethyl-1-(4-methoxybutyl)imidazol-2-amine

N-ethyl-1-(4-methoxybutyl)imidazol-2-amine (PubChem CID 106565023) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxybutyl)imidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxybutyl)imidazol-2-amine
PubChem CID106565023
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-ethyl-1-(4-methoxybutyl)imidazol-2-amine
SMILESCCNc1nccn1CCCCOC
InChIInChI=1S/C10H19N3O/c1-3-11-10-12-6-8-13(10)7-4-5-9-14-2/h6,8H,3-5,7,9H2,1-2H3,(H,11,12)
InChIKeyLLVMFGAZTHCISB-UHFFFAOYSA-N
XLogP1.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.74
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-ethyl-1-[2-(2-methoxyethoxy)ethyl]imidazol-2-amine
CID 106564453
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine
CID 106581195
N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106581208
1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106558829
N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine
CID 106558814
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine
CID 106559873
N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106565958
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106570460

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxybutyl)imidazol-2-amine?
The IUPAC name of N-ethyl-1-(4-methoxybutyl)imidazol-2-amine (CID 106565023) is N-ethyl-1-(4-methoxybutyl)imidazol-2-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxybutyl)imidazol-2-amine?
The canonical SMILES for N-ethyl-1-(4-methoxybutyl)imidazol-2-amine is CCNc1nccn1CCCCOC.
What is the InChIKey of N-ethyl-1-(4-methoxybutyl)imidazol-2-amine?
The InChIKey is LLVMFGAZTHCISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-11-10-12-6-8-13(10)7-4-5-9-14-2/h6,8H,3-5,7,9H2,1-2H3,(H,11,12).
What are the key properties of N-ethyl-1-(4-methoxybutyl)imidazol-2-amine?
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine has a molecular weight of 197.28 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxybutyl)imidazol-2-amine is sourced from PubChem (CID 106565023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).