N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine

C10H24N2S — CID 79644855

IUPACN',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine
SMILESCSCCCN(C)CC(C)(C)CN
InChIInChI=1S/C10H24N2S/c1-10(2,8-11)9-12(3)6-5-7-13-4/h5-9,11H2,1-4H3
InChIKeyRWXNEIFVVFZIBF-UHFFFAOYSA-N
MW204.38 g/mol
LogP1.66
Rot. Bonds7

About N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine

N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine (PubChem CID 79644855) has the molecular formula C10H24N2S and a molecular weight of 204.38 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine
PubChem CID79644855
Molecular FormulaC10H24N2S
Molecular Weight204.38 g/mol
Exact Mass204.17
IUPAC NameN',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine
SMILESCSCCCN(C)CC(C)(C)CN
InChIInChI=1S/C10H24N2S/c1-10(2,8-11)9-12(3)6-5-7-13-4/h5-9,11H2,1-4H3
InChIKeyRWXNEIFVVFZIBF-UHFFFAOYSA-N
XLogP1.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-2,2-dimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine
CID 79659864
N'-heptyl-N',2,2-trimethylpropane-1,3-diamine
CID 79648051
N'-decyl-N',2,2-trimethylpropane-1,3-diamine
CID 79652340
N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115514950
N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79652389
N',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride
CID 119928677
2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol
CID 130490537
2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112658217
1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol
CID 106708171
2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol
CID 115665583
N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 79652271
2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine
CID 114236764

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine (CID 79644855) is N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine is CSCCCN(C)CC(C)(C)CN.
What is the InChIKey of N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine?
The InChIKey is RWXNEIFVVFZIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S/c1-10(2,8-11)9-12(3)6-5-7-13-4/h5-9,11H2,1-4H3.
What are the key properties of N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine?
N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine has a molecular weight of 204.38 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine is sourced from PubChem (CID 79644855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).