N,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine

C16H29N3S — CID 115987724

IUPACN,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1c(C)cc(C)nc1N(C)C(C)CSC
InChIInChI=1S/C16H29N3S/c1-7-8-17-10-15-12(2)9-13(3)18-16(15)19(5)14(4)11-20-6/h9,14,17H,7-8,10-11H2,1-6H3
InChIKeyPZMINYLZKFHPRT-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.39
Rot. Bonds8

About N,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine

N,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine (PubChem CID 115987724) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine
PubChem CID115987724
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1c(C)cc(C)nc1N(C)C(C)CSC
InChIInChI=1S/C16H29N3S/c1-7-8-17-10-15-12(2)9-13(3)18-16(15)19(5)14(4)11-20-6/h9,14,17H,7-8,10-11H2,1-6H3
InChIKeyPZMINYLZKFHPRT-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine (CID 115987724) is N,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine is CCCNCc1c(C)cc(C)nc1N(C)C(C)CSC.
What is the InChIKey of N,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine?
The InChIKey is PZMINYLZKFHPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-7-8-17-10-15-12(2)9-13(3)18-16(15)19(5)14(4)11-20-6/h9,14,17H,7-8,10-11H2,1-6H3.
What are the key properties of N,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine?
N,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine has a molecular weight of 295.50 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 115987724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).