1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine

C15H26N2S — CID 116950118

IUPAC1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine
SMILESCCSc1ccc(C(CC(C)(C)CN)NC)cc1
InChIInChI=1S/C15H26N2S/c1-5-18-13-8-6-12(7-9-13)14(17-4)10-15(2,3)11-16/h6-9,14,17H,5,10-11,16H2,1-4H3
InChIKeyMGZJSXOBVXVGIZ-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.43
Rot. Bonds7

About 1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine

1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine (PubChem CID 116950118) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine
PubChem CID116950118
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine
SMILESCCSc1ccc(C(CC(C)(C)CN)NC)cc1
InChIInChI=1S/C15H26N2S/c1-5-18-13-8-6-12(7-9-13)14(17-4)10-15(2,3)11-16/h6-9,14,17H,5,10-11,16H2,1-4H3
InChIKeyMGZJSXOBVXVGIZ-UHFFFAOYSA-N
XLogP3.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,3,3-trimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine
CID 116950062
N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine
CID 116950082
1-(1,3-benzodioxol-5-yl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950084
1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine
CID 106848917
4-(4-ethylsulfanylphenyl)-4-(methylamino)butan-2-one
CID 116956055
N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199941
5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 116950122
1-(4-methoxy-3,5-dimethylphenyl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950143
2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
CID 106849015
N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide
CID 115271024
1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951598
4-(4-ethylsulfanylphenyl)-3,3-dimethylbutan-1-amine
CID 116925153

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine (CID 116950118) is 1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine is CCSc1ccc(C(CC(C)(C)CN)NC)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine?
The InChIKey is MGZJSXOBVXVGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-5-18-13-8-6-12(7-9-13)14(17-4)10-15(2,3)11-16/h6-9,14,17H,5,10-11,16H2,1-4H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine?
1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine has a molecular weight of 266.45 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine is sourced from PubChem (CID 116950118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).