1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine

C11H21N3O — CID 106554900

IUPAC1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCCC(C)n1cc(C)nc1NCCOC
InChIInChI=1S/C11H21N3O/c1-5-10(3)14-8-9(2)13-11(14)12-6-7-15-4/h8,10H,5-7H2,1-4H3,(H,12,13)
InChIKeyQNHGOBHZTCZXNW-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.22
Rot. Bonds6

About 1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine

1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106554900) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106554900
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCCC(C)n1cc(C)nc1NCCOC
InChIInChI=1S/C11H21N3O/c1-5-10(3)14-8-9(2)13-11(14)12-6-7-15-4/h8,10H,5-7H2,1-4H3,(H,12,13)
InChIKeyQNHGOBHZTCZXNW-UHFFFAOYSA-N
XLogP2.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.22
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

1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106569745
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine
CID 106554895
N-(2-methoxyethyl)-4-methyl-1-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106569166
N-(2-methoxyethyl)-4-methyl-1-(1-morpholin-4-ylpropan-2-yl)imidazol-2-amine
CID 106568516
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106579879
N-(2-methoxyethyl)-4-methyl-1-[1-(4-methylphenyl)ethyl]imidazol-2-amine
CID 106567280
1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106567768
N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine
CID 106571880
1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine
CID 106573349
1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106575097
1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554549

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106554900) is 1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine is CCC(C)n1cc(C)nc1NCCOC.
What is the InChIKey of 1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is QNHGOBHZTCZXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-10(3)14-8-9(2)13-11(14)12-6-7-15-4/h8,10H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106554900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).