2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine

C17H23NS2 — CID 63450748

IUPAC2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESc1csc(-c2csc(CNCCC3CCCCC3)c2)c1
InChIInChI=1S/C17H23NS2/c1-2-5-14(6-3-1)8-9-18-12-16-11-15(13-20-16)17-7-4-10-19-17/h4,7,10-11,13-14,18H,1-3,5-6,8-9,12H2
InChIKeyIKGWIPZLLMHVII-UHFFFAOYSA-N
MW305.51 g/mol
LogP5.54
Rot. Bonds6

About 2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine

2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (PubChem CID 63450748) has the molecular formula C17H23NS2 and a molecular weight of 305.51 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
PubChem CID63450748
Molecular FormulaC17H23NS2
Molecular Weight305.51 g/mol
Exact Mass305.13
IUPAC Name2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESc1csc(-c2csc(CNCCC3CCCCC3)c2)c1
InChIInChI=1S/C17H23NS2/c1-2-5-14(6-3-1)8-9-18-12-16-11-15(13-20-16)17-7-4-10-19-17/h4,7,10-11,13-14,18H,1-3,5-6,8-9,12H2
InChIKeyIKGWIPZLLMHVII-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81390018
3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43433717
4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 63454108
5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
CID 107302865
6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol
CID 103924165
5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile
CID 79544754
2,6-dimethyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]piperidin-1-amine
CID 83009935
2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 63278379
3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43433620
1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
CID 63898183
1,1-dioxo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]thian-4-amine
CID 43778670
1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
CID 43433741

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (CID 63450748) is 2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is c1csc(-c2csc(CNCCC3CCCCC3)c2)c1.
What is the InChIKey of 2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The InChIKey is IKGWIPZLLMHVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS2/c1-2-5-14(6-3-1)8-9-18-12-16-11-15(13-20-16)17-7-4-10-19-17/h4,7,10-11,13-14,18H,1-3,5-6,8-9,12H2.
What are the key properties of 2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine has a molecular weight of 305.51 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 63450748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).