N,N-dicyclohexyl-5-thiophen-2-ylthiophen-2-amine

C20H27NS2 — CID 15517264

IUPACN,N-dicyclohexyl-5-thiophen-2-ylthiophen-2-amine
SMILESc1csc(-c2ccc(N(C3CCCCC3)C3CCCCC3)s2)c1
InChIInChI=1S/C20H27NS2/c1-3-8-16(9-4-1)21(17-10-5-2-6-11-17)20-14-13-19(23-20)18-12-7-15-22-18/h7,12-17H,1-6,8-11H2
InChIKeyIHOGCFYHULHWRL-UHFFFAOYSA-N
MW345.58 g/mol
LogP6.95
Rot. Bonds4

About N,N-dicyclohexyl-5-thiophen-2-ylthiophen-2-amine

N,N-dicyclohexyl-5-thiophen-2-ylthiophen-2-amine (PubChem CID 15517264) has the molecular formula C20H27NS2 and a molecular weight of 345.58 g/mol. Its IUPAC name is N,N-dicyclohexyl-5-thiophen-2-ylthiophen-2-amine.

Molecular Properties

Compound NameN,N-dicyclohexyl-5-thiophen-2-ylthiophen-2-amine
PubChem CID15517264
Molecular FormulaC20H27NS2
Molecular Weight345.58 g/mol
Exact Mass345.16
IUPAC NameN,N-dicyclohexyl-5-thiophen-2-ylthiophen-2-amine
SMILESc1csc(-c2ccc(N(C3CCCCC3)C3CCCCC3)s2)c1
InChIInChI=1S/C20H27NS2/c1-3-8-16(9-4-1)21(17-10-5-2-6-11-17)20-14-13-19(23-20)18-12-7-15-22-18/h7,12-17H,1-6,8-11H2
InChIKeyIHOGCFYHULHWRL-UHFFFAOYSA-N
XLogP6.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.58
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-5-thiophen-2-ylthiophen-2-amine?
The IUPAC name of N,N-dicyclohexyl-5-thiophen-2-ylthiophen-2-amine (CID 15517264) is N,N-dicyclohexyl-5-thiophen-2-ylthiophen-2-amine.
What is the SMILES notation for N,N-dicyclohexyl-5-thiophen-2-ylthiophen-2-amine?
The canonical SMILES for N,N-dicyclohexyl-5-thiophen-2-ylthiophen-2-amine is c1csc(-c2ccc(N(C3CCCCC3)C3CCCCC3)s2)c1.
What is the InChIKey of N,N-dicyclohexyl-5-thiophen-2-ylthiophen-2-amine?
The InChIKey is IHOGCFYHULHWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NS2/c1-3-8-16(9-4-1)21(17-10-5-2-6-11-17)20-14-13-19(23-20)18-12-7-15-22-18/h7,12-17H,1-6,8-11H2.
What are the key properties of N,N-dicyclohexyl-5-thiophen-2-ylthiophen-2-amine?
N,N-dicyclohexyl-5-thiophen-2-ylthiophen-2-amine has a molecular weight of 345.58 g/mol, XLogP of 6.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-5-thiophen-2-ylthiophen-2-amine is sourced from PubChem (CID 15517264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).