2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine

C16H21N3S — CID 43707765

IUPAC2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine
SMILESCSc1ccc(C(C)Nc2cccnc2N(C)C)cc1
InChIInChI=1S/C16H21N3S/c1-12(13-7-9-14(20-4)10-8-13)18-15-6-5-11-17-16(15)19(2)3/h5-12,18H,1-4H3
InChIKeyFLEWYHNDKRMVLG-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.04
Rot. Bonds5

About 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine

2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine (PubChem CID 43707765) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine
PubChem CID43707765
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine
SMILESCSc1ccc(C(C)Nc2cccnc2N(C)C)cc1
InChIInChI=1S/C16H21N3S/c1-12(13-7-9-14(20-4)10-8-13)18-15-6-5-11-17-16(15)19(2)3/h5-12,18H,1-4H3
InChIKeyFLEWYHNDKRMVLG-UHFFFAOYSA-N
XLogP4.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine (CID 43707765) is 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine is CSc1ccc(C(C)Nc2cccnc2N(C)C)cc1.
What is the InChIKey of 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine?
The InChIKey is FLEWYHNDKRMVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-12(13-7-9-14(20-4)10-8-13)18-15-6-5-11-17-16(15)19(2)3/h5-12,18H,1-4H3.
What are the key properties of 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine?
2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine has a molecular weight of 287.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-3-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 43707765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).