[1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine

C16H21NS — CID 63738318

IUPAC[1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine
SMILESNCC1(Cc2csc3ccccc23)CCCCC1
InChIInChI=1S/C16H21NS/c17-12-16(8-4-1-5-9-16)10-13-11-18-15-7-3-2-6-14(13)15/h2-3,6-7,11H,1,4-5,8-10,12,17H2
InChIKeyJFBUPOIVYKZJCE-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.35
Rot. Bonds3

About [1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine

[1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine (PubChem CID 63738318) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is [1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine
PubChem CID63738318
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name[1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine
SMILESNCC1(Cc2csc3ccccc23)CCCCC1
InChIInChI=1S/C16H21NS/c17-12-16(8-4-1-5-9-16)10-13-11-18-15-7-3-2-6-14(13)15/h2-3,6-7,11H,1,4-5,8-10,12,17H2
InChIKeyJFBUPOIVYKZJCE-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine
CID 65401475
1-(1-benzothiophen-3-ylmethyl)cycloheptane-1-carbonitrile
CID 65389327
1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79834589
[1-(naphthalen-1-ylmethyl)cycloheptyl]methanamine
CID 65391703
1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine
CID 64573137
N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine
CID 66024029
2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63738278
2-[[1-(aminomethyl)cyclopentyl]methyl]phenol
CID 105458102
1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol
CID 65154330
1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine
CID 63736929
3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine
CID 79451537
(1-benzylcyclooctyl)methanamine
CID 80602159

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine (CID 63738318) is [1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine is NCC1(Cc2csc3ccccc23)CCCCC1.
What is the InChIKey of [1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine?
The InChIKey is JFBUPOIVYKZJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c17-12-16(8-4-1-5-9-16)10-13-11-18-15-7-3-2-6-14(13)15/h2-3,6-7,11H,1,4-5,8-10,12,17H2.
What are the key properties of [1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine?
[1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine has a molecular weight of 259.42 g/mol, XLogP of 4.35, 3 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)cyclohexyl]methanamine is sourced from PubChem (CID 63738318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).