1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine

C17H23NS — CID 79834589

IUPAC1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1(N)Cc1csc2ccccc12
InChIInChI=1S/C17H23NS/c1-16(2)9-5-6-10-17(16,18)11-13-12-19-15-8-4-3-7-14(13)15/h3-4,7-8,12H,5-6,9-11,18H2,1-2H3
InChIKeyJPRUXUDQWDAAIE-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.74
Rot. Bonds2

About 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine

1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79834589) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine
PubChem CID79834589
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1(N)Cc1csc2ccccc12
InChIInChI=1S/C17H23NS/c1-16(2)9-5-6-10-17(16,18)11-13-12-19-15-8-4-3-7-14(13)15/h3-4,7-8,12H,5-6,9-11,18H2,1-2H3
InChIKeyJPRUXUDQWDAAIE-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine
CID 63738318
1-benzyl-2,2-dimethylcyclohexan-1-amine
CID 79836797
2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63738278
1-(1-benzothiophen-3-ylmethyl)cycloheptane-1-carbonitrile
CID 65389327
1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine
CID 64573137
1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 119281546
[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine
CID 65401475
1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol
CID 65154330
[2-(1-benzothiophen-3-yl)-1-(2-methyloxan-2-yl)ethyl]hydrazine
CID 105256128
2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine
CID 66465792
3-(1-benzothiophen-3-ylmethyl)-2-methylthian-3-ol
CID 79951470
1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296493

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine (CID 79834589) is 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1(N)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is JPRUXUDQWDAAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-16(2)9-5-6-10-17(16,18)11-13-12-19-15-8-4-3-7-14(13)15/h3-4,7-8,12H,5-6,9-11,18H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79834589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).