N',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine

C10H24N2S — CID 28615454

IUPACN',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
SMILESCCN(CC)CCNCCCSC
InChIInChI=1S/C10H24N2S/c1-4-12(5-2)9-8-11-7-6-10-13-3/h11H,4-10H2,1-3H3
InChIKeyQOSWNIZVUIWZJN-UHFFFAOYSA-N
MW204.38 g/mol
LogP1.67
Rot. Bonds9

About N',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine

N',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine (PubChem CID 28615454) has the molecular formula C10H24N2S and a molecular weight of 204.38 g/mol. Its IUPAC name is N',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
PubChem CID28615454
Molecular FormulaC10H24N2S
Molecular Weight204.38 g/mol
Exact Mass204.17
IUPAC NameN',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
SMILESCCN(CC)CCNCCCSC
InChIInChI=1S/C10H24N2S/c1-4-12(5-2)9-8-11-7-6-10-13-3/h11H,4-10H2,1-3H3
InChIKeyQOSWNIZVUIWZJN-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 51.67
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-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N-(6-bromohexyl)-N',N'-diethylethane-1,2-diamine
CID 107914108
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 62975902
2-(3-methylsulfanylpropylamino)ethanethiol
CID 130737120
N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine
CID 103087969
N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine
CID 106211426
propane;N,N',N'-triethylethane-1,2-diamine
CID 157059256
N-(4-methylsulfanylbutyl)decan-1-amine
CID 113487512
N'-(3-methylsulfanylpropyl)butane-1,4-diamine
CID 60895256
N-(2-ethylsulfonylethyl)-3-methylsulfanylpropan-1-amine
CID 63964934
N',N'-diethyl-N-[2-(3-methylbutylsulfanyl)ethyl]ethane-1,2-diamine
CID 107757705

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine (CID 28615454) is N',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine is CCN(CC)CCNCCCSC.
What is the InChIKey of N',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine?
The InChIKey is QOSWNIZVUIWZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S/c1-4-12(5-2)9-8-11-7-6-10-13-3/h11H,4-10H2,1-3H3.
What are the key properties of N',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine?
N',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine has a molecular weight of 204.38 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 28615454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).