N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine

C16H29N3S — CID 106907072

IUPACN-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine
SMILESCCC(CSC)N(C)Cc1cccc(CNC(C)C)n1
InChIInChI=1S/C16H29N3S/c1-6-16(12-20-5)19(4)11-15-9-7-8-14(18-15)10-17-13(2)3/h7-9,13,16-17H,6,10-12H2,1-5H3
InChIKeyYALDQGZVTUPIQB-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.15
Rot. Bonds9

About N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine

N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine (PubChem CID 106907072) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine
PubChem CID106907072
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine
SMILESCCC(CSC)N(C)Cc1cccc(CNC(C)C)n1
InChIInChI=1S/C16H29N3S/c1-6-16(12-20-5)19(4)11-15-9-7-8-14(18-15)10-17-13(2)3/h7-9,13,16-17H,6,10-12H2,1-5H3
InChIKeyYALDQGZVTUPIQB-UHFFFAOYSA-N
XLogP3.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
CID 115987823
6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
CID 112664312
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine
CID 106905876
N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine
CID 106905796
N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine
CID 106905878
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-[[6-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106907080
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 107455604
N-butan-2-yl-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62280724
N-methyl-6-[[methyl(pentan-3-yl)amino]methyl]pyridin-2-amine
CID 79243618
4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline
CID 106906209
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112661039

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine?
The IUPAC name of N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine (CID 106907072) is N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine.
What is the SMILES notation for N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine?
The canonical SMILES for N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine is CCC(CSC)N(C)Cc1cccc(CNC(C)C)n1.
What is the InChIKey of N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine?
The InChIKey is YALDQGZVTUPIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-6-16(12-20-5)19(4)11-15-9-7-8-14(18-15)10-17-13(2)3/h7-9,13,16-17H,6,10-12H2,1-5H3.
What are the key properties of N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine?
N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine has a molecular weight of 295.50 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine is sourced from PubChem (CID 106907072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).