4-(aminomethyl)-6-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine

C14H25N3S — CID 113381450

IUPAC4-(aminomethyl)-6-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
SMILESCCc1cc(CN)cc(N(C)C(CC)CSC)n1
InChIInChI=1S/C14H25N3S/c1-5-12-7-11(9-15)8-14(16-12)17(3)13(6-2)10-18-4/h7-8,13H,5-6,9-10,15H2,1-4H3
InChIKeyJABMITYWMXQRQA-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.68
Rot. Bonds7

About 4-(aminomethyl)-6-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine

4-(aminomethyl)-6-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine (PubChem CID 113381450) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-(aminomethyl)-6-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-6-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
PubChem CID113381450
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name4-(aminomethyl)-6-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
SMILESCCc1cc(CN)cc(N(C)C(CC)CSC)n1
InChIInChI=1S/C14H25N3S/c1-5-12-7-11(9-15)8-14(16-12)17(3)13(6-2)10-18-4/h7-8,13H,5-6,9-10,15H2,1-4H3
InChIKeyJABMITYWMXQRQA-UHFFFAOYSA-N
XLogP2.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-6-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine (CID 113381450) is 4-(aminomethyl)-6-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-6-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-6-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine is CCc1cc(CN)cc(N(C)C(CC)CSC)n1.
What is the InChIKey of 4-(aminomethyl)-6-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine?
The InChIKey is JABMITYWMXQRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-5-12-7-11(9-15)8-14(16-12)17(3)13(6-2)10-18-4/h7-8,13H,5-6,9-10,15H2,1-4H3.
What are the key properties of 4-(aminomethyl)-6-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine?
4-(aminomethyl)-6-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine has a molecular weight of 267.44 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 113381450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).