(5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine

C15H24BrNS — CID 63501690

IUPAC(5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine
SMILESCC(C)(C)C1CCC(C(N)c2ccc(Br)s2)CC1
InChIInChI=1S/C15H24BrNS/c1-15(2,3)11-6-4-10(5-7-11)14(17)12-8-9-13(16)18-12/h8-11,14H,4-7,17H2,1-3H3
InChIKeyQSPOIJURMJNSII-UHFFFAOYSA-N
MW330.34 g/mol
LogP5.36
Rot. Bonds2

About (5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine

(5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine (PubChem CID 63501690) has the molecular formula C15H24BrNS and a molecular weight of 330.34 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine
PubChem CID63501690
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC Name(5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine
SMILESCC(C)(C)C1CCC(C(N)c2ccc(Br)s2)CC1
InChIInChI=1S/C15H24BrNS/c1-15(2,3)11-6-4-10(5-7-11)14(17)12-8-9-13(16)18-12/h8-11,14H,4-7,17H2,1-3H3
InChIKeyQSPOIJURMJNSII-UHFFFAOYSA-N
XLogP5.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.34
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-[(4-tert-butylcyclohexyl)-chloromethyl]thiophene
CID 63435194
(S)-(5-bromothiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171222527
(S)-(5-bromothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride
CID 171240660
4-[amino-(5-bromothiophen-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 116938801
(5-bromothiophen-2-yl)-(1,1-dioxothian-4-yl)methanamine
CID 116821436
(5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105162179
(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine
CID 65402562
1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol
CID 83693253
(5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105173547
2-bromo-5-[chloro(cyclopropyl)methyl]thiophene
CID 61085489
[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105232678
(4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine
CID 65402354

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine (CID 63501690) is (5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine is CC(C)(C)C1CCC(C(N)c2ccc(Br)s2)CC1.
What is the InChIKey of (5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine?
The InChIKey is QSPOIJURMJNSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-15(2,3)11-6-4-10(5-7-11)14(17)12-8-9-13(16)18-12/h8-11,14H,4-7,17H2,1-3H3.
What are the key properties of (5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine?
(5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine has a molecular weight of 330.34 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine is sourced from PubChem (CID 63501690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).