1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine

C12H23N3OS — CID 106573644

IUPAC1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NCCCSC
InChIInChI=1S/C12H23N3OS/c1-10-8-15(11(2)9-16-3)12(14-10)13-6-5-7-17-4/h8,11H,5-7,9H2,1-4H3,(H,13,14)
InChIKeyISYQSCVYQNDGPA-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.56
Rot. Bonds8

About 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine

1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine (PubChem CID 106573644) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine
PubChem CID106573644
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NCCCSC
InChIInChI=1S/C12H23N3OS/c1-10-8-15(11(2)9-16-3)12(14-10)13-6-5-7-17-4/h8,11H,5-7,9H2,1-4H3,(H,13,14)
InChIKeyISYQSCVYQNDGPA-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]piperidine
CID 91911381
2-[1-(2-Methoxyethyl)-5-methyl-1H-imidazol-2-YL]ethan-1-amine
CID 86820595
N-{2-[1-(2-Methoxyethyl)-5-methyl-1H-imidazol-2-YL]ethyl}propane-1-sulfonamide
CID 91923947
N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]ethanesulfonamide
CID 91923948
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine
CID 119123822
N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}propane-2-sulfonamide
CID 131937458
(2S)-N-[(1-ethylimidazol-4-yl)methyl]-3-methoxybutan-2-amine
CID 138020874
2-{[2-(4-Methyl-1H-imidazol-1-yl)ethyl]sulfanyl}ethan-1-ol
CID 71345702
2-methoxy-N-[[3-(3,3,3-trifluoropropyl)imidazol-4-yl]methyl]ethanamine
CID 66151602
N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66151819
N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 66162784
2-(2,2-difluoroethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 105906016

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine (CID 106573644) is 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine is COCC(C)n1cc(C)nc1NCCCSC.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine?
The InChIKey is ISYQSCVYQNDGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-10-8-15(11(2)9-16-3)12(14-10)13-6-5-7-17-4/h8,11H,5-7,9H2,1-4H3,(H,13,14).
What are the key properties of 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine?
1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine has a molecular weight of 257.40 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine is sourced from PubChem (CID 106573644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).