N-[(5-bromothiophen-3-yl)methyl]-2-tert-butylcyclohexan-1-amine

C15H24BrNS — CID 43673938

IUPACN-[(5-bromothiophen-3-yl)methyl]-2-tert-butylcyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCc1csc(Br)c1
InChIInChI=1S/C15H24BrNS/c1-15(2,3)12-6-4-5-7-13(12)17-9-11-8-14(16)18-10-11/h8,10,12-13,17H,4-7,9H2,1-3H3
InChIKeyLOIKHAOSXALRQX-UHFFFAOYSA-N
MW330.34 g/mol
LogP5.21
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-2-tert-butylcyclohexan-1-amine

N-[(5-bromothiophen-3-yl)methyl]-2-tert-butylcyclohexan-1-amine (PubChem CID 43673938) has the molecular formula C15H24BrNS and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2-tert-butylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2-tert-butylcyclohexan-1-amine
PubChem CID43673938
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2-tert-butylcyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCc1csc(Br)c1
InChIInChI=1S/C15H24BrNS/c1-15(2,3)12-6-4-5-7-13(12)17-9-11-8-14(16)18-10-11/h8,10,12-13,17H,4-7,9H2,1-3H3
InChIKeyLOIKHAOSXALRQX-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.34
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-tert-butylcyclohexan-1-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-tert-butylcyclohexan-1-amine (CID 43673938) is N-[(5-bromothiophen-3-yl)methyl]-2-tert-butylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2-tert-butylcyclohexan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2-tert-butylcyclohexan-1-amine is CC(C)(C)C1CCCCC1NCc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2-tert-butylcyclohexan-1-amine?
The InChIKey is LOIKHAOSXALRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-15(2,3)12-6-4-5-7-13(12)17-9-11-8-14(16)18-10-11/h8,10,12-13,17H,4-7,9H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2-tert-butylcyclohexan-1-amine?
N-[(5-bromothiophen-3-yl)methyl]-2-tert-butylcyclohexan-1-amine has a molecular weight of 330.34 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-2-tert-butylcyclohexan-1-amine is sourced from PubChem (CID 43673938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).