N'-(2-tert-butylphenyl)sulfanyl-N,N'-dimethylethane-1,2-diamine

C14H24N2S — CID 170047151

IUPACN'-(2-tert-butylphenyl)sulfanyl-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Sc1ccccc1C(C)(C)C
InChIInChI=1S/C14H24N2S/c1-14(2,3)12-8-6-7-9-13(12)17-16(5)11-10-15-4/h6-9,15H,10-11H2,1-5H3
InChIKeySPLGPWCLNDSOEV-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.14
Rot. Bonds5

About N'-(2-tert-butylphenyl)sulfanyl-N,N'-dimethylethane-1,2-diamine

N'-(2-tert-butylphenyl)sulfanyl-N,N'-dimethylethane-1,2-diamine (PubChem CID 170047151) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N'-(2-tert-butylphenyl)sulfanyl-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-tert-butylphenyl)sulfanyl-N,N'-dimethylethane-1,2-diamine
PubChem CID170047151
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN'-(2-tert-butylphenyl)sulfanyl-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Sc1ccccc1C(C)(C)C
InChIInChI=1S/C14H24N2S/c1-14(2,3)12-8-6-7-9-13(12)17-16(5)11-10-15-4/h6-9,15H,10-11H2,1-5H3
InChIKeySPLGPWCLNDSOEV-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butylphenyl)sulfanyl-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(2-tert-butylphenyl)sulfanyl-N,N'-dimethylethane-1,2-diamine (CID 170047151) is N'-(2-tert-butylphenyl)sulfanyl-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-tert-butylphenyl)sulfanyl-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(2-tert-butylphenyl)sulfanyl-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Sc1ccccc1C(C)(C)C.
What is the InChIKey of N'-(2-tert-butylphenyl)sulfanyl-N,N'-dimethylethane-1,2-diamine?
The InChIKey is SPLGPWCLNDSOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-14(2,3)12-8-6-7-9-13(12)17-16(5)11-10-15-4/h6-9,15H,10-11H2,1-5H3.
What are the key properties of N'-(2-tert-butylphenyl)sulfanyl-N,N'-dimethylethane-1,2-diamine?
N'-(2-tert-butylphenyl)sulfanyl-N,N'-dimethylethane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butylphenyl)sulfanyl-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 170047151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).