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

C12H23N3S — CID 106580890

IUPACN-butyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine
SMILESCCCCNc1nccn1CC(C)(C)SC
InChIInChI=1S/C12H23N3S/c1-5-6-7-13-11-14-8-9-15(11)10-12(2,3)16-4/h8-9H,5-7,10H2,1-4H3,(H,13,14)
InChIKeyCHJNDTAWJMSJDD-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.24
Rot. Bonds7

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

N-butyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine (PubChem CID 106580890) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-butyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine
PubChem CID106580890
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-butyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine
SMILESCCCCNc1nccn1CC(C)(C)SC
InChIInChI=1S/C12H23N3S/c1-5-6-7-13-11-14-8-9-15(11)10-12(2,3)16-4/h8-9H,5-7,10H2,1-4H3,(H,13,14)
InChIKeyCHJNDTAWJMSJDD-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.24
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

1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106580897
N-butyl-1-(2-methylsulfanylpropyl)imidazol-2-amine
CID 106580940
N-butyl-1-hexylimidazol-2-amine
CID 106573794
1-ethyl-N-octylimidazol-2-amine
CID 115568972
N-hexyl-1-propylimidazol-2-amine
CID 106573792
N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574296
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
N-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]imidazol-2-amine
CID 106579421
N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560081
1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine
CID 106581758
4-[(1-ethylimidazol-2-yl)amino]butan-1-ol
CID 106842674

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine?
The IUPAC name of N-butyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine (CID 106580890) is N-butyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine.
What is the SMILES notation for N-butyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine?
The canonical SMILES for N-butyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine is CCCCNc1nccn1CC(C)(C)SC.
What is the InChIKey of N-butyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine?
The InChIKey is CHJNDTAWJMSJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-6-7-13-11-14-8-9-15(11)10-12(2,3)16-4/h8-9H,5-7,10H2,1-4H3,(H,13,14).
What are the key properties of N-butyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine?
N-butyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine has a molecular weight of 241.40 g/mol, XLogP of 3.24, 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-methyl-2-methylsulfanylpropyl)imidazol-2-amine is sourced from PubChem (CID 106580890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).