1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine

C9H22N2S — CID 112665854

IUPAC1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine
SMILESCNCC(C)N(C)C(C)CSC
InChIInChI=1S/C9H22N2S/c1-8(6-10-3)11(4)9(2)7-12-5/h8-10H,6-7H2,1-5H3
InChIKeyNBWITTQDQHZXDO-UHFFFAOYSA-N
MW190.36 g/mol
LogP1.28
Rot. Bonds6

About 1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine

1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine (PubChem CID 112665854) has the molecular formula C9H22N2S and a molecular weight of 190.36 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine
PubChem CID112665854
Molecular FormulaC9H22N2S
Molecular Weight190.36 g/mol
Exact Mass190.15
IUPAC Name1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine
SMILESCNCC(C)N(C)C(C)CSC
InChIInChI=1S/C9H22N2S/c1-8(6-10-3)11(4)9(2)7-12-5/h8-10H,6-7H2,1-5H3
InChIKeyNBWITTQDQHZXDO-UHFFFAOYSA-N
XLogP1.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Di(isopropylaminoethyl)sulfide
CID 469936
N,N'-bis[1-(methylsulfanylmethyl)propyl]ethane-1,2-diamine
CID 16727461
2-[2-[1-(Sulfanylmethyl)propylamino]ethylamino]butane-1-thiol
CID 16727462
N'-(2-propylsulfanylethyl)ethane-1,2-diamine
CID 11171146
3-methylsulfanyl-N-propan-2-ylpropan-1-amine
CID 23615103
2,13-Dithia-6,9-diazatetradecane
CID 23422460
1,4-Dithia-8,11-diazacyclotetradecane
CID 23422511
N'-(2-butylsulfanylethyl)ethane-1,2-diamine
CID 11275341
N'-butan-2-yl-N'-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine
CID 105965671
1,1,1-trifluoro-2-N-methyl-2-N-(2-methylsulfanylethyl)butane-2,3-diamine
CID 112657297
1,1,1-trifluoro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)butane-2,3-diamine
CID 112657499
3,3,3-trifluoro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)propane-1,2-diamine
CID 112657607

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine (CID 112665854) is 1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine is CNCC(C)N(C)C(C)CSC.
What is the InChIKey of 1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine?
The InChIKey is NBWITTQDQHZXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2S/c1-8(6-10-3)11(4)9(2)7-12-5/h8-10H,6-7H2,1-5H3.
What are the key properties of 1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine?
1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine has a molecular weight of 190.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 112665854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).