1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

C15H29N3O — CID 106568882

IUPAC1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCCCCCC(C)n1cc(C)nc1NC(C)COC
InChIInChI=1S/C15H29N3O/c1-6-7-8-9-14(4)18-10-12(2)16-15(18)17-13(3)11-19-5/h10,13-14H,6-9,11H2,1-5H3,(H,16,17)
InChIKeyGHXQLZINNZMWRU-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.78
Rot. Bonds9

About 1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106568882) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106568882
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCCCCCC(C)n1cc(C)nc1NC(C)COC
InChIInChI=1S/C15H29N3O/c1-6-7-8-9-14(4)18-10-12(2)16-15(18)17-13(3)11-19-5/h10,13-14H,6-9,11H2,1-5H3,(H,16,17)
InChIKeyGHXQLZINNZMWRU-UHFFFAOYSA-N
XLogP3.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.78
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-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106569750
N-(1-methoxypropan-2-yl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106554828
1-[1-(dimethylamino)propan-2-yl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106578638
1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106569745
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561678
1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
CID 106554321
N-(1-methoxy-3-methylbutan-2-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106575059
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
N-(1-methoxypropan-2-yl)-4-methyl-1-(1-thiophen-3-ylethyl)imidazol-2-amine
CID 106570907
1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
CID 106568860
1-(1-methoxypropan-2-yl)-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)imidazol-2-amine
CID 106568507
N-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106568866

Frequently Asked Questions

What is the IUPAC name of 1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of 1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (CID 106568882) is 1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is CCCCCC(C)n1cc(C)nc1NC(C)COC.
What is the InChIKey of 1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is GHXQLZINNZMWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-6-7-8-9-14(4)18-10-12(2)16-15(18)17-13(3)11-19-5/h10,13-14H,6-9,11H2,1-5H3,(H,16,17).
What are the key properties of 1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 267.42 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106568882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).