N'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine

C15H22N2S — CID 115204843

IUPACN'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine
SMILESCN(CCC(C)(C)CN)c1csc2ccccc12
InChIInChI=1S/C15H22N2S/c1-15(2,11-16)8-9-17(3)13-10-18-14-7-5-4-6-12(13)14/h4-7,10H,8-9,11,16H2,1-3H3
InChIKeyPRDZEAJRUCDNJU-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.71
Rot. Bonds5

About N'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine

N'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine (PubChem CID 115204843) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine
PubChem CID115204843
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine
SMILESCN(CCC(C)(C)CN)c1csc2ccccc12
InChIInChI=1S/C15H22N2S/c1-15(2,11-16)8-9-17(3)13-10-18-14-7-5-4-6-12(13)14/h4-7,10H,8-9,11,16H2,1-3H3
InChIKeyPRDZEAJRUCDNJU-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-benzothiophen-3-yl(methyl)amino]butan-2-one
CID 115235591
N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine
CID 115226761
2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine
CID 117039948
N-tert-butyl-N-(4-tert-butylphenyl)-1-benzothiophen-3-amine
CID 176910613
2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 63738676
2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide
CID 115186945
1-benzothiophen-3-yl(methyl)cyanamide
CID 117043270
N'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine
CID 115251280
2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 106506221
2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine
CID 116853574
1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136311
1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine
CID 62699054

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine?
The IUPAC name of N'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine (CID 115204843) is N'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for N'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine is CN(CCC(C)(C)CN)c1csc2ccccc12.
What is the InChIKey of N'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine?
The InChIKey is PRDZEAJRUCDNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-15(2,11-16)8-9-17(3)13-10-18-14-7-5-4-6-12(13)14/h4-7,10H,8-9,11,16H2,1-3H3.
What are the key properties of N'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine?
N'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine has a molecular weight of 262.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 115204843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).