N,6-dimethyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine

C16H29N3S — CID 115987730

IUPACN,6-dimethyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine
SMILESCSCC(C)N(C)c1ccc(CNCC(C)C)c(C)n1
InChIInChI=1S/C16H29N3S/c1-12(2)9-17-10-15-7-8-16(18-14(15)4)19(5)13(3)11-20-6/h7-8,12-13,17H,9-11H2,1-6H3
InChIKeyVDIWRDCZPAKLLR-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.32
Rot. Bonds8

About N,6-dimethyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine

N,6-dimethyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine (PubChem CID 115987730) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N,6-dimethyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine
PubChem CID115987730
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN,6-dimethyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine
SMILESCSCC(C)N(C)c1ccc(CNCC(C)C)c(C)n1
InChIInChI=1S/C16H29N3S/c1-12(2)9-17-10-15-7-8-16(18-14(15)4)19(5)13(3)11-20-6/h7-8,12-13,17H,9-11H2,1-6H3
InChIKeyVDIWRDCZPAKLLR-UHFFFAOYSA-N
XLogP3.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112665216
N,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine
CID 75509870
5-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 112665337
N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 112665398
N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 83186354
N-[[6-(4-methoxyphenyl)-2-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82453109
N-[[6-(2-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82452876
3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 105390310
N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine
CID 115987996
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 115987705
N-ethyl-N,6-dimethyl-5-(methylaminomethyl)pyridin-2-amine
CID 79885093
6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine
CID 112663158

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine?
The IUPAC name of N,6-dimethyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine (CID 115987730) is N,6-dimethyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for N,6-dimethyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for N,6-dimethyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine is CSCC(C)N(C)c1ccc(CNCC(C)C)c(C)n1.
What is the InChIKey of N,6-dimethyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine?
The InChIKey is VDIWRDCZPAKLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-12(2)9-17-10-15-7-8-16(18-14(15)4)19(5)13(3)11-20-6/h7-8,12-13,17H,9-11H2,1-6H3.
What are the key properties of N,6-dimethyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine?
N,6-dimethyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine has a molecular weight of 295.50 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 115987730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).