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

C12H23N3S — CID 114708466

IUPACN-methyl-2-[3-(3-methylsulfanylbutyl)imidazol-4-yl]propan-2-amine
SMILESCNC(C)(C)c1cncn1CCC(C)SC
InChIInChI=1S/C12H23N3S/c1-10(16-5)6-7-15-9-14-8-11(15)12(2,3)13-4/h8-10,13H,6-7H2,1-5H3
InChIKeyUGIWABWCXZGTBR-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.48
Rot. Bonds6

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

N-methyl-2-[3-(3-methylsulfanylbutyl)imidazol-4-yl]propan-2-amine (PubChem CID 114708466) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-methyl-2-[3-(3-methylsulfanylbutyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(3-methylsulfanylbutyl)imidazol-4-yl]propan-2-amine
PubChem CID114708466
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-methyl-2-[3-(3-methylsulfanylbutyl)imidazol-4-yl]propan-2-amine
SMILESCNC(C)(C)c1cncn1CCC(C)SC
InChIInChI=1S/C12H23N3S/c1-10(16-5)6-7-15-9-14-8-11(15)12(2,3)13-4/h8-10,13H,6-7H2,1-5H3
InChIKeyUGIWABWCXZGTBR-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.48
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-(3-methylsulfanylbutyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of N-methyl-2-[3-(3-methylsulfanylbutyl)imidazol-4-yl]propan-2-amine (CID 114708466) is N-methyl-2-[3-(3-methylsulfanylbutyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for N-methyl-2-[3-(3-methylsulfanylbutyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for N-methyl-2-[3-(3-methylsulfanylbutyl)imidazol-4-yl]propan-2-amine is CNC(C)(C)c1cncn1CCC(C)SC.
What is the InChIKey of N-methyl-2-[3-(3-methylsulfanylbutyl)imidazol-4-yl]propan-2-amine?
The InChIKey is UGIWABWCXZGTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-10(16-5)6-7-15-9-14-8-11(15)12(2,3)13-4/h8-10,13H,6-7H2,1-5H3.
What are the key properties of N-methyl-2-[3-(3-methylsulfanylbutyl)imidazol-4-yl]propan-2-amine?
N-methyl-2-[3-(3-methylsulfanylbutyl)imidazol-4-yl]propan-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(3-methylsulfanylbutyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114708466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).