N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine

C14H24N2S — CID 115199941

IUPACN'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCCSc1ccc(N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C14H24N2S/c1-5-17-13-8-6-12(7-9-13)16(4)11-14(2,3)10-15/h6-9H,5,10-11,15H2,1-4H3
InChIKeyQXBOKECZBYKCTP-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.22
Rot. Bonds6

About N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine

N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 115199941) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine
PubChem CID115199941
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCCSc1ccc(N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C14H24N2S/c1-5-17-13-8-6-12(7-9-13)16(4)11-14(2,3)10-15/h6-9H,5,10-11,15H2,1-4H3
InChIKeyQXBOKECZBYKCTP-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 62258743
4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline
CID 115260655
4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline
CID 115258403
2-(4-ethylsulfanyl-N-methylanilino)ethanol
CID 115216147
1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950118
N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide
CID 115271024
N-(azetidin-3-ylmethyl)-4-ethylsulfanyl-N-methylaniline
CID 115207424
4-(4-ethylsulfanylphenyl)-3,3-dimethylbutan-1-amine
CID 116925153
2-ethyl-N'-(4-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 62259232
(4-ethylsulfanylphenyl)methanamine
CID 12842467
N',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride
CID 119928677
N-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 115165672

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine (CID 115199941) is N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine is CCSc1ccc(N(C)CC(C)(C)CN)cc1.
What is the InChIKey of N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is QXBOKECZBYKCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-5-17-13-8-6-12(7-9-13)16(4)11-14(2,3)10-15/h6-9H,5,10-11,15H2,1-4H3.
What are the key properties of N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine?
N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 115199941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).