N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine

C13H25N3S — CID 106582178

IUPACN-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1C(C)CSCC
InChIInChI=1S/C13H25N3S/c1-5-7-8-14-13-15-11(3)9-16(13)12(4)10-17-6-2/h9,12H,5-8,10H2,1-4H3,(H,14,15)
InChIKeyCAGSCINSGMINSK-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.72
Rot. Bonds8

About N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine

N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106582178) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106582178
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1C(C)CSCC
InChIInChI=1S/C13H25N3S/c1-5-7-8-14-13-15-11(3)9-16(13)12(4)10-17-6-2/h9,12H,5-8,10H2,1-4H3,(H,14,15)
InChIKeyCAGSCINSGMINSK-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.72
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

N-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine
CID 106571701
1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106569745
N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine
CID 106564834
1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine
CID 106554895
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554900
1-(1-cyclopropylpropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106572732
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine
CID 106555821
1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106582849
4-methyl-1-(1-methylsulfanylpropan-2-yl)-N-propan-2-ylimidazol-2-amine
CID 106581340
4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine
CID 106572589

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine (CID 106582178) is N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine is CCCCNc1nc(C)cn1C(C)CSCC.
What is the InChIKey of N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is CAGSCINSGMINSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-7-8-14-13-15-11(3)9-16(13)12(4)10-17-6-2/h9,12H,5-8,10H2,1-4H3,(H,14,15).
What are the key properties of N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine?
N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106582178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).