1-(1-methoxybutan-2-yl)-N,4-dimethylimidazol-2-amine

C10H19N3O — CID 106574676

IUPAC1-(1-methoxybutan-2-yl)-N,4-dimethylimidazol-2-amine
SMILESCCC(COC)n1cc(C)nc1NC
InChIInChI=1S/C10H19N3O/c1-5-9(7-14-4)13-6-8(2)12-10(13)11-3/h6,9H,5,7H2,1-4H3,(H,11,12)
InChIKeyHJDCVMGHJLOPCN-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.83
Rot. Bonds5

About 1-(1-methoxybutan-2-yl)-N,4-dimethylimidazol-2-amine

1-(1-methoxybutan-2-yl)-N,4-dimethylimidazol-2-amine (PubChem CID 106574676) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(1-methoxybutan-2-yl)-N,4-dimethylimidazol-2-amine.

Molecular Properties

Compound Name1-(1-methoxybutan-2-yl)-N,4-dimethylimidazol-2-amine
PubChem CID106574676
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(1-methoxybutan-2-yl)-N,4-dimethylimidazol-2-amine
SMILESCCC(COC)n1cc(C)nc1NC
InChIInChI=1S/C10H19N3O/c1-5-9(7-14-4)13-6-8(2)12-10(13)11-3/h6,9H,5,7H2,1-4H3,(H,11,12)
InChIKeyHJDCVMGHJLOPCN-UHFFFAOYSA-N
XLogP1.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxybutan-2-yl)-N,4-dimethylimidazol-2-amine?
The IUPAC name of 1-(1-methoxybutan-2-yl)-N,4-dimethylimidazol-2-amine (CID 106574676) is 1-(1-methoxybutan-2-yl)-N,4-dimethylimidazol-2-amine.
What is the SMILES notation for 1-(1-methoxybutan-2-yl)-N,4-dimethylimidazol-2-amine?
The canonical SMILES for 1-(1-methoxybutan-2-yl)-N,4-dimethylimidazol-2-amine is CCC(COC)n1cc(C)nc1NC.
What is the InChIKey of 1-(1-methoxybutan-2-yl)-N,4-dimethylimidazol-2-amine?
The InChIKey is HJDCVMGHJLOPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-9(7-14-4)13-6-8(2)12-10(13)11-3/h6,9H,5,7H2,1-4H3,(H,11,12).
What are the key properties of 1-(1-methoxybutan-2-yl)-N,4-dimethylimidazol-2-amine?
1-(1-methoxybutan-2-yl)-N,4-dimethylimidazol-2-amine has a molecular weight of 197.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxybutan-2-yl)-N,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106574676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).