N-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine

C11H21N3S — CID 106580940

IUPACN-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine
SMILESCCCCNc1nccn1CC(C)SC
InChIInChI=1S/C11H21N3S/c1-4-5-6-12-11-13-7-8-14(11)9-10(2)15-3/h7-8,10H,4-6,9H2,1-3H3,(H,12,13)
InChIKeyJDLJPMCCCGAQET-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.85
Rot. Bonds7

About N-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine

N-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine (PubChem CID 106580940) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine
PubChem CID106580940
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine
SMILESCCCCNc1nccn1CC(C)SC
InChIInChI=1S/C11H21N3S/c1-4-5-6-12-11-13-7-8-14(11)9-10(2)15-3/h7-8,10H,4-6,9H2,1-3H3,(H,12,13)
InChIKeyJDLJPMCCCGAQET-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.85
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-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine
CID 106580890
N-butyl-1-hexylimidazol-2-amine
CID 106573794
N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine
CID 106555556
N-butyl-1-(1-methylsulfanylpropan-2-yl)imidazol-2-amine
CID 106581318
1-ethyl-N-octylimidazol-2-amine
CID 115568972
N-hexyl-1-propylimidazol-2-amine
CID 106573792
N-(4-methylpentyl)-1-propylimidazol-2-amine
CID 106572167
N',N'-diethyl-N-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine
CID 106558821
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
CID 62940519
N-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106582532
N-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565244

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine?
The IUPAC name of N-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine (CID 106580940) is N-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine.
What is the SMILES notation for N-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine?
The canonical SMILES for N-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine is CCCCNc1nccn1CC(C)SC.
What is the InChIKey of N-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine?
The InChIKey is JDLJPMCCCGAQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-4-5-6-12-11-13-7-8-14(11)9-10(2)15-3/h7-8,10H,4-6,9H2,1-3H3,(H,12,13).
What are the key properties of N-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine?
N-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine is sourced from PubChem (CID 106580940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).