N,4-dimethyl-1-(4-methylsulfanylbutyl)imidazol-2-amine

C10H19N3S — CID 106579956

IUPACN,4-dimethyl-1-(4-methylsulfanylbutyl)imidazol-2-amine
SMILESCNc1nc(C)cn1CCCCSC
InChIInChI=1S/C10H19N3S/c1-9-8-13(10(11-2)12-9)6-4-5-7-14-3/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyKRHBMVHAMBOVFI-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.38
Rot. Bonds6

About N,4-dimethyl-1-(4-methylsulfanylbutyl)imidazol-2-amine

N,4-dimethyl-1-(4-methylsulfanylbutyl)imidazol-2-amine (PubChem CID 106579956) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N,4-dimethyl-1-(4-methylsulfanylbutyl)imidazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(4-methylsulfanylbutyl)imidazol-2-amine
PubChem CID106579956
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN,4-dimethyl-1-(4-methylsulfanylbutyl)imidazol-2-amine
SMILESCNc1nc(C)cn1CCCCSC
InChIInChI=1S/C10H19N3S/c1-9-8-13(10(11-2)12-9)6-4-5-7-14-3/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyKRHBMVHAMBOVFI-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(4-methylsulfanylbutyl)imidazol-2-amine?
The IUPAC name of N,4-dimethyl-1-(4-methylsulfanylbutyl)imidazol-2-amine (CID 106579956) is N,4-dimethyl-1-(4-methylsulfanylbutyl)imidazol-2-amine.
What is the SMILES notation for N,4-dimethyl-1-(4-methylsulfanylbutyl)imidazol-2-amine?
The canonical SMILES for N,4-dimethyl-1-(4-methylsulfanylbutyl)imidazol-2-amine is CNc1nc(C)cn1CCCCSC.
What is the InChIKey of N,4-dimethyl-1-(4-methylsulfanylbutyl)imidazol-2-amine?
The InChIKey is KRHBMVHAMBOVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-9-8-13(10(11-2)12-9)6-4-5-7-14-3/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N,4-dimethyl-1-(4-methylsulfanylbutyl)imidazol-2-amine?
N,4-dimethyl-1-(4-methylsulfanylbutyl)imidazol-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(4-methylsulfanylbutyl)imidazol-2-amine is sourced from PubChem (CID 106579956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).