N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine

C9H19F3N2S — CID 103366446

IUPACN'-methyl-N'-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine
SMILESCSCC(C)N(C)CC(CN)C(F)(F)F
InChIInChI=1S/C9H19F3N2S/c1-7(6-15-3)14(2)5-8(4-13)9(10,11)12/h7-8H,4-6,13H2,1-3H3
InChIKeyHHKKQNWGOMCCNX-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.81
Rot. Bonds6

About N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine

N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine (PubChem CID 103366446) has the molecular formula C9H19F3N2S and a molecular weight of 244.33 g/mol. Its IUPAC name is N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine
PubChem CID103366446
Molecular FormulaC9H19F3N2S
Molecular Weight244.33 g/mol
Exact Mass244.12
IUPAC NameN'-methyl-N'-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine
SMILESCSCC(C)N(C)CC(CN)C(F)(F)F
InChIInChI=1S/C9H19F3N2S/c1-7(6-15-3)14(2)5-8(4-13)9(10,11)12/h7-8H,4-6,13H2,1-3H3
InChIKeyHHKKQNWGOMCCNX-UHFFFAOYSA-N
XLogP1.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-3-N-methyl-3-N-(thiolan-3-yl)butane-1,3-diamine
CID 43753139
N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63981310
2-methyl-3-methylsulfanyl-N-(3,3,3-trifluoropropyl)propan-1-amine
CID 64553357
5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine
CID 65135087
N-ethyl-5,5,5-trifluoro-1-(2-methylpropylsulfanyl)pentan-2-amine
CID 65135750
2-[2-(Diethylamino)ethylsulfanyl]-1,1,1-trifluoropentan-3-amine
CID 65671048
3-[2-(Diethylamino)ethylsulfanyl]-4,4,4-trifluorobutan-2-amine
CID 65672184
3-[2-(Dimethylamino)ethylsulfanyl]-4,4,4-trifluorobutan-2-amine
CID 80354917
N-(1,1-difluoropropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 102869595
N-(1,1-difluoropropan-2-yl)-4-methylsulfanylbutan-2-amine
CID 102870064
N-(1,1-difluoropropan-2-yl)-1-methylsulfanylbutan-2-amine
CID 102870099
N'-methyl-N'-(thiolan-3-yl)-2-(trifluoromethyl)propane-1,3-diamine
CID 103366135

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine (CID 103366446) is N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine is CSCC(C)N(C)CC(CN)C(F)(F)F.
What is the InChIKey of N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine?
The InChIKey is HHKKQNWGOMCCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2S/c1-7(6-15-3)14(2)5-8(4-13)9(10,11)12/h7-8H,4-6,13H2,1-3H3.
What are the key properties of N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine?
N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine has a molecular weight of 244.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 103366446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).