1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine

C17H26N2S — CID 79062515

IUPAC1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCC(CC)(C(N)Cc1csc2ccccc12)N(C)C
InChIInChI=1S/C17H26N2S/c1-5-17(6-2,19(3)4)16(18)11-13-12-20-15-10-8-7-9-14(13)15/h7-10,12,16H,5-6,11,18H2,1-4H3
InChIKeyWGPVAJOOWNSURU-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.89
Rot. Bonds6

About 1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine

1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine (PubChem CID 79062515) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine
PubChem CID79062515
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCC(CC)(C(N)Cc1csc2ccccc12)N(C)C
InChIInChI=1S/C17H26N2S/c1-5-17(6-2,19(3)4)16(18)11-13-12-20-15-10-8-7-9-14(13)15/h7-10,12,16H,5-6,11,18H2,1-4H3
InChIKeyWGPVAJOOWNSURU-UHFFFAOYSA-N
XLogP3.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 63738810
1-(1-benzothiophen-3-yl)heptan-2-amine
CID 115823990
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
CID 105201011
2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 63738676
3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244750
2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116849978
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
2-amino-3-(1-benzothiophen-3-yl)propanal
CID 23504453
2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65423179
2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115823714
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine (CID 79062515) is 1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine is CCC(CC)(C(N)Cc1csc2ccccc12)N(C)C.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The InChIKey is WGPVAJOOWNSURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-5-17(6-2,19(3)4)16(18)11-13-12-20-15-10-8-7-9-14(13)15/h7-10,12,16H,5-6,11,18H2,1-4H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine?
1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine has a molecular weight of 290.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine is sourced from PubChem (CID 79062515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).