1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol

C13H30N2OS — CID 112658783

IUPAC1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol
SMILESCCC(CSC)N(C)CC(O)CNC(C)(C)C
InChIInChI=1S/C13H30N2OS/c1-7-11(10-17-6)15(5)9-12(16)8-14-13(2,3)4/h11-12,14,16H,7-10H2,1-6H3
InChIKeyJWBGFAXIQDYODJ-UHFFFAOYSA-N
MW262.46 g/mol
LogP1.81
Rot. Bonds8

About 1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol

1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol (PubChem CID 112658783) has the molecular formula C13H30N2OS and a molecular weight of 262.46 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol
PubChem CID112658783
Molecular FormulaC13H30N2OS
Molecular Weight262.46 g/mol
Exact Mass262.21
IUPAC Name1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol
SMILESCCC(CSC)N(C)CC(O)CNC(C)(C)C
InChIInChI=1S/C13H30N2OS/c1-7-11(10-17-6)15(5)9-12(16)8-14-13(2,3)4/h11-12,14,16H,7-10H2,1-6H3
InChIKeyJWBGFAXIQDYODJ-UHFFFAOYSA-N
XLogP1.81
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol with MolForge

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Related Compounds

N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 103071191
(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol
CID 112665129
methyl 2-bromo-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoate
CID 112661543
N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 112664882
2-amino-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
CID 112661509
1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol
CID 115898094
1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
CID 113317503
3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine
CID 112663720
1-(tert-butylamino)-3-[1-(2-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115475273
1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol
CID 115475082
N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine
CID 112660954

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol (CID 112658783) is 1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol is CCC(CSC)N(C)CC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol?
The InChIKey is JWBGFAXIQDYODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2OS/c1-7-11(10-17-6)15(5)9-12(16)8-14-13(2,3)4/h11-12,14,16H,7-10H2,1-6H3.
What are the key properties of 1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol?
1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol has a molecular weight of 262.46 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 112658783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).