N,N'-di(propan-2-yl)-2-propan-2-ylsulfanylpropane-1,3-diamine

C12H28N2S — CID 171600842

IUPACN,N'-di(propan-2-yl)-2-propan-2-ylsulfanylpropane-1,3-diamine
SMILESCC(C)NCC(CNC(C)C)SC(C)C
InChIInChI=1S/C12H28N2S/c1-9(2)13-7-12(15-11(5)6)8-14-10(3)4/h9-14H,7-8H2,1-6H3
InChIKeyVNEIAZDHBRPSFZ-UHFFFAOYSA-N
MW232.44 g/mol
LogP2.49
Rot. Bonds8

About N,N'-di(propan-2-yl)-2-propan-2-ylsulfanylpropane-1,3-diamine

N,N'-di(propan-2-yl)-2-propan-2-ylsulfanylpropane-1,3-diamine (PubChem CID 171600842) has the molecular formula C12H28N2S and a molecular weight of 232.44 g/mol. Its IUPAC name is N,N'-di(propan-2-yl)-2-propan-2-ylsulfanylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-di(propan-2-yl)-2-propan-2-ylsulfanylpropane-1,3-diamine
PubChem CID171600842
Molecular FormulaC12H28N2S
Molecular Weight232.44 g/mol
Exact Mass232.20
IUPAC NameN,N'-di(propan-2-yl)-2-propan-2-ylsulfanylpropane-1,3-diamine
SMILESCC(C)NCC(CNC(C)C)SC(C)C
InChIInChI=1S/C12H28N2S/c1-9(2)13-7-12(15-11(5)6)8-14-10(3)4/h9-14H,7-8H2,1-6H3
InChIKeyVNEIAZDHBRPSFZ-UHFFFAOYSA-N
XLogP2.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 21493190
2-fluoro-N-propan-2-ylpropan-1-amine
CID 84647765
2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 24848525
(2S)-1-N-propan-2-ylpropane-1,2-diamine
CID 11480427
(2R)-2-methyl-N-propan-2-ylbutan-1-amine
CID 28610226
2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 62576949
4-methoxy-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015723
2-[(propan-2-ylamino)methyl]propane-1,3-diol
CID 162784969
2-methyl-3-(propan-2-ylamino)propan-1-ol
CID 20806708
N-methyl-N'-propan-2-yl-2-[(propan-2-ylamino)methyl]propane-1,3-diamine
CID 166866931
1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 172990455
N-(2-propan-2-ylsulfanylpropyl)pentan-3-amine
CID 62579088

Frequently Asked Questions

What is the IUPAC name of N,N'-di(propan-2-yl)-2-propan-2-ylsulfanylpropane-1,3-diamine?
The IUPAC name of N,N'-di(propan-2-yl)-2-propan-2-ylsulfanylpropane-1,3-diamine (CID 171600842) is N,N'-di(propan-2-yl)-2-propan-2-ylsulfanylpropane-1,3-diamine.
What is the SMILES notation for N,N'-di(propan-2-yl)-2-propan-2-ylsulfanylpropane-1,3-diamine?
The canonical SMILES for N,N'-di(propan-2-yl)-2-propan-2-ylsulfanylpropane-1,3-diamine is CC(C)NCC(CNC(C)C)SC(C)C.
What is the InChIKey of N,N'-di(propan-2-yl)-2-propan-2-ylsulfanylpropane-1,3-diamine?
The InChIKey is VNEIAZDHBRPSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2S/c1-9(2)13-7-12(15-11(5)6)8-14-10(3)4/h9-14H,7-8H2,1-6H3.
What are the key properties of N,N'-di(propan-2-yl)-2-propan-2-ylsulfanylpropane-1,3-diamine?
N,N'-di(propan-2-yl)-2-propan-2-ylsulfanylpropane-1,3-diamine has a molecular weight of 232.44 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(propan-2-yl)-2-propan-2-ylsulfanylpropane-1,3-diamine is sourced from PubChem (CID 171600842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).