N-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine

C10H24N2S — CID 106915866

IUPACN-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine
SMILESCCSCCN(C)CC(C)CNC
InChIInChI=1S/C10H24N2S/c1-5-13-7-6-12(4)9-10(2)8-11-3/h10-11H,5-9H2,1-4H3
InChIKeyKZIJPIUTQRRMFS-UHFFFAOYSA-N
MW204.38 g/mol
LogP1.53
Rot. Bonds8

About N-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine

N-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine (PubChem CID 106915866) has the molecular formula C10H24N2S and a molecular weight of 204.38 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine
PubChem CID106915866
Molecular FormulaC10H24N2S
Molecular Weight204.38 g/mol
Exact Mass204.17
IUPAC NameN-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine
SMILESCCSCCN(C)CC(C)CNC
InChIInChI=1S/C10H24N2S/c1-5-13-7-6-12(4)9-10(2)8-11-3/h10-11H,5-9H2,1-4H3
InChIKeyKZIJPIUTQRRMFS-UHFFFAOYSA-N
XLogP1.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 51.53
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-(3-ethoxypropyl)-N,N',2-trimethylpropane-1,3-diamine
CID 106915894
N,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine
CID 112663777
N-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915870
CID 20692364
CID 20692364
N-[(E)-but-2-enyl]-N,N',2-trimethylpropane-1,3-diamine
CID 107900740
N,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine
CID 158144247
N-(4-methoxybutan-2-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 106915876
N,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine
CID 106915888
N,N'-dimethyl-N'-(2-propylsulfanylethyl)propane-1,3-diamine
CID 167204862
N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63699519
N-(1-methoxypropan-2-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 62429833
N-[2-(2-methoxyphenoxy)ethyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915931

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine?
The IUPAC name of N-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine (CID 106915866) is N-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine?
The canonical SMILES for N-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine is CCSCCN(C)CC(C)CNC.
What is the InChIKey of N-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine?
The InChIKey is KZIJPIUTQRRMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S/c1-5-13-7-6-12(4)9-10(2)8-11-3/h10-11H,5-9H2,1-4H3.
What are the key properties of N-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine?
N-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine has a molecular weight of 204.38 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 106915866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).