3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine

C15H25N3S — CID 112665329

IUPAC3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
SMILESCCC(CSC)N(C)c1ccncc1CNC1CC1
InChIInChI=1S/C15H25N3S/c1-4-14(11-19-3)18(2)15-7-8-16-9-12(15)10-17-13-5-6-13/h7-9,13-14,17H,4-6,10-11H2,1-3H3
InChIKeyZGMAFSBRAKTIMT-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.91
Rot. Bonds8

About 3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine

3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine (PubChem CID 112665329) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
PubChem CID112665329
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
SMILESCCC(CSC)N(C)c1ccncc1CNC1CC1
InChIInChI=1S/C15H25N3S/c1-4-14(11-19-3)18(2)15-7-8-16-9-12(15)10-17-13-5-6-13/h7-9,13-14,17H,4-6,10-11H2,1-3H3
InChIKeyZGMAFSBRAKTIMT-UHFFFAOYSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine (CID 112665329) is 3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine is CCC(CSC)N(C)c1ccncc1CNC1CC1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine?
The InChIKey is ZGMAFSBRAKTIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-4-14(11-19-3)18(2)15-7-8-16-9-12(15)10-17-13-5-6-13/h7-9,13-14,17H,4-6,10-11H2,1-3H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine?
3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine has a molecular weight of 279.45 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine is sourced from PubChem (CID 112665329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).