4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine

C14H25N3S — CID 113368019

IUPAC4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(N(C)C(CC)CSC)ccn1
InChIInChI=1S/C14H25N3S/c1-5-8-15-14-10-13(7-9-16-14)17(3)12(6-2)11-18-4/h7,9-10,12H,5-6,8,11H2,1-4H3,(H,15,16)
InChIKeyNJNUFGYHTXCWSZ-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.48
Rot. Bonds8

About 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine

4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine (PubChem CID 113368019) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine
PubChem CID113368019
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(N(C)C(CC)CSC)ccn1
InChIInChI=1S/C14H25N3S/c1-5-8-15-14-10-13(7-9-16-14)17(3)12(6-2)11-18-4/h7,9-10,12H,5-6,8,11H2,1-4H3,(H,15,16)
InChIKeyNJNUFGYHTXCWSZ-UHFFFAOYSA-N
XLogP3.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-methyl-4-N-pentan-3-yl-2-N-propylpyridine-2,4-diamine
CID 113367538
2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
CID 112657230
[4-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]methanol
CID 112663577
4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine
CID 113367946
4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine
CID 113367858
2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 115988738
6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
CID 112664312
N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 115987150
2-[[2-(ethylamino)-4-pyridinyl]-methylamino]propan-1-ol
CID 104557112
4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-N-propylpyridine-2,4-diamine
CID 113367881
4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469698

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine (CID 113368019) is 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine is CCCNc1cc(N(C)C(CC)CSC)ccn1.
What is the InChIKey of 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine?
The InChIKey is NJNUFGYHTXCWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-5-8-15-14-10-13(7-9-16-14)17(3)12(6-2)11-18-4/h7,9-10,12H,5-6,8,11H2,1-4H3,(H,15,16).
What are the key properties of 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine?
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine has a molecular weight of 267.44 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine is sourced from PubChem (CID 113368019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).