2-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexan-1-amine

C15H24BrNS — CID 55188051

IUPAC2-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(Cc2sccc2Br)C1
InChIInChI=1S/C15H24BrNS/c1-15(2,3)11-4-5-13(17)10(8-11)9-14-12(16)6-7-18-14/h6-7,10-11,13H,4-5,8-9,17H2,1-3H3
InChIKeyNFYQUOHMHPNMAS-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.84
Rot. Bonds2

About 2-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexan-1-amine

2-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexan-1-amine (PubChem CID 55188051) has the molecular formula C15H24BrNS and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexan-1-amine
PubChem CID55188051
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC Name2-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(Cc2sccc2Br)C1
InChIInChI=1S/C15H24BrNS/c1-15(2,3)11-4-5-13(17)10(8-11)9-14-12(16)6-7-18-14/h6-7,10-11,13H,4-5,8-9,17H2,1-3H3
InChIKeyNFYQUOHMHPNMAS-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexan-1-amine?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexan-1-amine (CID 55188051) is 2-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexan-1-amine is CC(C)(C)C1CCC(N)C(Cc2sccc2Br)C1.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexan-1-amine?
The InChIKey is NFYQUOHMHPNMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-15(2,3)11-4-5-13(17)10(8-11)9-14-12(16)6-7-18-14/h6-7,10-11,13H,4-5,8-9,17H2,1-3H3.
What are the key properties of 2-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexan-1-amine?
2-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexan-1-amine has a molecular weight of 330.34 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexan-1-amine is sourced from PubChem (CID 55188051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).