N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-4-methylsulfanylpentan-2-amine

C14H27N3S — CID 131911968

IUPACN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-4-methylsulfanylpentan-2-amine
SMILESCSC(C)(C)CC(C)NCCn1cnc(C)c1C
InChIInChI=1S/C14H27N3S/c1-11(9-14(4,5)18-6)15-7-8-17-10-16-12(2)13(17)3/h10-11,15H,7-9H2,1-6H3
InChIKeyFHDLMESWUCIFFU-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.01
Rot. Bonds7

About N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-4-methylsulfanylpentan-2-amine

N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-4-methylsulfanylpentan-2-amine (PubChem CID 131911968) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-4-methylsulfanylpentan-2-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-4-methylsulfanylpentan-2-amine
PubChem CID131911968
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-4-methylsulfanylpentan-2-amine
SMILESCSC(C)(C)CC(C)NCCn1cnc(C)c1C
InChIInChI=1S/C14H27N3S/c1-11(9-14(4,5)18-6)15-7-8-17-10-16-12(2)13(17)3/h10-11,15H,7-9H2,1-6H3
InChIKeyFHDLMESWUCIFFU-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-4-methylsulfanylpentan-2-amine?
The IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-4-methylsulfanylpentan-2-amine (CID 131911968) is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-4-methylsulfanylpentan-2-amine.
What is the SMILES notation for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-4-methylsulfanylpentan-2-amine?
The canonical SMILES for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-4-methylsulfanylpentan-2-amine is CSC(C)(C)CC(C)NCCn1cnc(C)c1C.
What is the InChIKey of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-4-methylsulfanylpentan-2-amine?
The InChIKey is FHDLMESWUCIFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-11(9-14(4,5)18-6)15-7-8-17-10-16-12(2)13(17)3/h10-11,15H,7-9H2,1-6H3.
What are the key properties of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-4-methylsulfanylpentan-2-amine?
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-4-methylsulfanylpentan-2-amine has a molecular weight of 269.46 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-4-methylsulfanylpentan-2-amine is sourced from PubChem (CID 131911968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).