N-(1-methoxypropan-2-yl)-1-(3-methylsulfanylbutyl)imidazol-2-amine

C12H23N3OS — CID 106581674

IUPACN-(1-methoxypropan-2-yl)-1-(3-methylsulfanylbutyl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1CCC(C)SC
InChIInChI=1S/C12H23N3OS/c1-10(9-16-3)14-12-13-6-8-15(12)7-5-11(2)17-4/h6,8,10-11H,5,7,9H2,1-4H3,(H,13,14)
InChIKeyAGSGSWITIXRICF-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.47
Rot. Bonds8

About N-(1-methoxypropan-2-yl)-1-(3-methylsulfanylbutyl)imidazol-2-amine

N-(1-methoxypropan-2-yl)-1-(3-methylsulfanylbutyl)imidazol-2-amine (PubChem CID 106581674) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-(3-methylsulfanylbutyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-(3-methylsulfanylbutyl)imidazol-2-amine
PubChem CID106581674
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-(1-methoxypropan-2-yl)-1-(3-methylsulfanylbutyl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1CCC(C)SC
InChIInChI=1S/C12H23N3OS/c1-10(9-16-3)14-12-13-6-8-15(12)7-5-11(2)17-4/h6,8,10-11H,5,7,9H2,1-4H3,(H,13,14)
InChIKeyAGSGSWITIXRICF-UHFFFAOYSA-N
XLogP2.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxypropan-2-yl)-1-(3-methylbutyl)imidazol-2-amine
CID 106557283
1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine
CID 106581680
N-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582356
N-(1-methoxypropan-2-yl)-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572044
1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561717
N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574347
N-(1-ethoxypropan-2-yl)-1-propylimidazol-2-amine
CID 106565346
N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556138
1-(2-methoxyethyl)-N-(4-methylhexan-2-yl)imidazol-2-amine
CID 106574023
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
1-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106583189
N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560082

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-(3-methylsulfanylbutyl)imidazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-(3-methylsulfanylbutyl)imidazol-2-amine (CID 106581674) is N-(1-methoxypropan-2-yl)-1-(3-methylsulfanylbutyl)imidazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-(3-methylsulfanylbutyl)imidazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-(3-methylsulfanylbutyl)imidazol-2-amine is COCC(C)Nc1nccn1CCC(C)SC.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-(3-methylsulfanylbutyl)imidazol-2-amine?
The InChIKey is AGSGSWITIXRICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-10(9-16-3)14-12-13-6-8-15(12)7-5-11(2)17-4/h6,8,10-11H,5,7,9H2,1-4H3,(H,13,14).
What are the key properties of N-(1-methoxypropan-2-yl)-1-(3-methylsulfanylbutyl)imidazol-2-amine?
N-(1-methoxypropan-2-yl)-1-(3-methylsulfanylbutyl)imidazol-2-amine has a molecular weight of 257.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-(3-methylsulfanylbutyl)imidazol-2-amine is sourced from PubChem (CID 106581674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).