1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol

C8H20N2OS — CID 112658794

IUPAC1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
SMILESCSCC(C)N(C)CC(O)CN
InChIInChI=1S/C8H20N2OS/c1-7(6-12-3)10(2)5-8(11)4-9/h7-8,11H,4-6,9H2,1-3H3
InChIKeySFGYSFNWDNZYDH-UHFFFAOYSA-N
MW192.33 g/mol
LogP-0.01
Rot. Bonds6

About 1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol

1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol (PubChem CID 112658794) has the molecular formula C8H20N2OS and a molecular weight of 192.33 g/mol. Its IUPAC name is 1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
PubChem CID112658794
Molecular FormulaC8H20N2OS
Molecular Weight192.33 g/mol
Exact Mass192.13
IUPAC Name1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
SMILESCSCC(C)N(C)CC(O)CN
InChIInChI=1S/C8H20N2OS/c1-7(6-12-3)10(2)5-8(11)4-9/h7-8,11H,4-6,9H2,1-3H3
InChIKeySFGYSFNWDNZYDH-UHFFFAOYSA-N
XLogP-0.01
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 106114990
2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide
CID 112666689
1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
CID 112657713
1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol
CID 130729630
(2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol
CID 98793114
3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol
CID 112663299
N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
CID 112661159
(2R)-1-amino-3-(diethylamino)propan-2-ol
CID 7000197
4-[1-hydroxy-2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethyl]benzenecarbothioamide
CID 112659888
2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112661269
1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol
CID 43273601
1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol
CID 115752194

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol (CID 112658794) is 1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol is CSCC(C)N(C)CC(O)CN.
What is the InChIKey of 1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol?
The InChIKey is SFGYSFNWDNZYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2OS/c1-7(6-12-3)10(2)5-8(11)4-9/h7-8,11H,4-6,9H2,1-3H3.
What are the key properties of 1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol?
1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol has a molecular weight of 192.33 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 112658794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).