N-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine

C11H21N3S — CID 114708450

IUPACN-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine
SMILESCNC(C)(C)c1cncn1CC(C)SC
InChIInChI=1S/C11H21N3S/c1-9(15-5)7-14-8-13-6-10(14)11(2,3)12-4/h6,8-9,12H,7H2,1-5H3
InChIKeyGPPXQAQKMQXQCR-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.09
Rot. Bonds5

About N-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine

N-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine (PubChem CID 114708450) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine
PubChem CID114708450
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine
SMILESCNC(C)(C)c1cncn1CC(C)SC
InChIInChI=1S/C11H21N3S/c1-9(15-5)7-14-8-13-6-10(14)11(2,3)12-4/h6,8-9,12H,7H2,1-5H3
InChIKeyGPPXQAQKMQXQCR-UHFFFAOYSA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of N-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine (CID 114708450) is N-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for N-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for N-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine is CNC(C)(C)c1cncn1CC(C)SC.
What is the InChIKey of N-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine?
The InChIKey is GPPXQAQKMQXQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-9(15-5)7-14-8-13-6-10(14)11(2,3)12-4/h6,8-9,12H,7H2,1-5H3.
What are the key properties of N-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine?
N-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114708450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).