N-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine

C17H30N2S — CID 115987823

IUPACN-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
SMILESCCC(CSC)N(C)Cc1cccc(CNC(C)C)c1
InChIInChI=1S/C17H30N2S/c1-6-17(13-20-5)19(4)12-16-9-7-8-15(10-16)11-18-14(2)3/h7-10,14,17-18H,6,11-13H2,1-5H3
InChIKeyOFIARDQJSVSWNC-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.76
Rot. Bonds9

About N-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine

N-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine (PubChem CID 115987823) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
PubChem CID115987823
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
SMILESCCC(CSC)N(C)Cc1cccc(CNC(C)C)c1
InChIInChI=1S/C17H30N2S/c1-6-17(13-20-5)19(4)12-16-9-7-8-15(10-16)11-18-14(2)3/h7-10,14,17-18H,6,11-13H2,1-5H3
InChIKeyOFIARDQJSVSWNC-UHFFFAOYSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 107455604
N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine
CID 106907072
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine
CID 112665980
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
CID 62421643
N-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine
CID 63492555
2-chloro-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]aniline
CID 112661035
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine
CID 62423900
N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
CID 62417355
N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine
CID 62411782
N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine
CID 112665767
2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83042926
N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine
CID 66349042

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine?
The IUPAC name of N-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine (CID 115987823) is N-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine.
What is the SMILES notation for N-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine?
The canonical SMILES for N-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine is CCC(CSC)N(C)Cc1cccc(CNC(C)C)c1.
What is the InChIKey of N-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine?
The InChIKey is OFIARDQJSVSWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-6-17(13-20-5)19(4)12-16-9-7-8-15(10-16)11-18-14(2)3/h7-10,14,17-18H,6,11-13H2,1-5H3.
What are the key properties of N-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine?
N-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine has a molecular weight of 294.51 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine is sourced from PubChem (CID 115987823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).