N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine

C11H16BrNS — CID 43431948

IUPACN-[(5-bromothiophen-3-yl)methyl]cyclohexanamine
SMILESBrc1cc(CNC2CCCCC2)cs1
InChIInChI=1S/C11H16BrNS/c12-11-6-9(8-14-11)7-13-10-4-2-1-3-5-10/h6,8,10,13H,1-5,7H2
InChIKeyKUFUYWZMULUHLC-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.93
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine

N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine (PubChem CID 43431948) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]cyclohexanamine
PubChem CID43431948
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]cyclohexanamine
SMILESBrc1cc(CNC2CCCCC2)cs1
InChIInChI=1S/C11H16BrNS/c12-11-6-9(8-14-11)7-13-10-4-2-1-3-5-10/h6,8,10,13H,1-5,7H2
InChIKeyKUFUYWZMULUHLC-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine
CID 130941284
N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine
CID 61169601
N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917694
(3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol
CID 131089932
1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone
CID 115697951
N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-amine
CID 71885858
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
N-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine
CID 107961490
[2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol
CID 111468945
2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide
CID 38065184
N-[(5-bromothiophen-3-yl)methyl]hydroxylamine
CID 82686785
N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine
CID 62287412

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine (CID 43431948) is N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine is Brc1cc(CNC2CCCCC2)cs1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine?
The InChIKey is KUFUYWZMULUHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c12-11-6-9(8-14-11)7-13-10-4-2-1-3-5-10/h6,8,10,13H,1-5,7H2.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine?
N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine has a molecular weight of 274.23 g/mol, XLogP of 3.93, 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]cyclohexanamine is sourced from PubChem (CID 43431948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).