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

C13H25N3O — CID 106569745

IUPAC1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCCCCC(C)n1cc(C)nc1NCCOC
InChIInChI=1S/C13H25N3O/c1-5-6-7-12(3)16-10-11(2)15-13(16)14-8-9-17-4/h10,12H,5-9H2,1-4H3,(H,14,15)
InChIKeyITVYTUQPGHMPMR-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.00
Rot. Bonds8

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

1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106569745) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106569745
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCCCCC(C)n1cc(C)nc1NCCOC
InChIInChI=1S/C13H25N3O/c1-5-6-7-12(3)16-10-11(2)15-13(16)14-8-9-17-4/h10,12H,5-9H2,1-4H3,(H,14,15)
InChIKeyITVYTUQPGHMPMR-UHFFFAOYSA-N
XLogP3.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.00
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-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554900
1-hexan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106569750
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106567768
1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106568882
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
N-(2-methoxyethyl)-4-methyl-1-[1-(4-methylphenyl)ethyl]imidazol-2-amine
CID 106567280
N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine
CID 106571880
N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine
CID 106582178
1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106575097
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106579879

Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106569745) is 1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine is CCCCC(C)n1cc(C)nc1NCCOC.
What is the InChIKey of 1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is ITVYTUQPGHMPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-6-7-12(3)16-10-11(2)15-13(16)14-8-9-17-4/h10,12H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 239.36 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106569745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).