2-[(3-bromothiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine

C15H24BrNS — CID 63403351

IUPAC2-[(3-bromothiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1Cc1sccc1Br
InChIInChI=1S/C15H24BrNS/c1-3-7-17-14-5-4-11(2)9-12(14)10-15-13(16)6-8-18-15/h6,8,11-12,14,17H,3-5,7,9-10H2,1-2H3
InChIKeyOSYDTNCICYWFEI-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.86
Rot. Bonds5

About 2-[(3-bromothiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine

2-[(3-bromothiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine (PubChem CID 63403351) 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-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
PubChem CID63403351
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC Name2-[(3-bromothiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1Cc1sccc1Br
InChIInChI=1S/C15H24BrNS/c1-3-7-17-14-5-4-11(2)9-12(14)10-15-13(16)6-8-18-15/h6,8,11-12,14,17H,3-5,7,9-10H2,1-2H3
InChIKeyOSYDTNCICYWFEI-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.86
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-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine (CID 63403351) is 2-[(3-bromothiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1Cc1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
The InChIKey is OSYDTNCICYWFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-3-7-17-14-5-4-11(2)9-12(14)10-15-13(16)6-8-18-15/h6,8,11-12,14,17H,3-5,7,9-10H2,1-2H3.
What are the key properties of 2-[(3-bromothiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
2-[(3-bromothiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine has a molecular weight of 330.34 g/mol, XLogP of 4.86, 5 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-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63403351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).