N-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine

C12H17Br2NS — CID 107961490

IUPACN-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine
SMILESBrc1cc(CNC2CCCCCC2)c(Br)s1
InChIInChI=1S/C12H17Br2NS/c13-11-7-9(12(14)16-11)8-15-10-5-3-1-2-4-6-10/h7,10,15H,1-6,8H2
InChIKeyOFVRKBIYJPTHRS-UHFFFAOYSA-N
MW367.15 g/mol
LogP5.09
Rot. Bonds3

About N-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine

N-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine (PubChem CID 107961490) has the molecular formula C12H17Br2NS and a molecular weight of 367.15 g/mol. Its IUPAC name is N-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine
PubChem CID107961490
Molecular FormulaC12H17Br2NS
Molecular Weight367.15 g/mol
Exact Mass364.94
IUPAC NameN-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine
SMILESBrc1cc(CNC2CCCCCC2)c(Br)s1
InChIInChI=1S/C12H17Br2NS/c13-11-7-9(12(14)16-11)8-15-10-5-3-1-2-4-6-10/h7,10,15H,1-6,8H2
InChIKeyOFVRKBIYJPTHRS-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.15
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine
CID 107961487
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine
CID 43431948
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
N-[(2,4-dibromophenyl)methyl]cyclopentanamine
CID 107938680
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566
N-[(5-bromo-2,4-dimethoxyphenyl)methyl]cycloheptanamine
CID 791926
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine
CID 102835424
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine
CID 79803205
2-[(cyclooctylamino)methyl]-4-fluorophenol
CID 103947924

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine?
The IUPAC name of N-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine (CID 107961490) is N-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine?
The canonical SMILES for N-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine is Brc1cc(CNC2CCCCCC2)c(Br)s1.
What is the InChIKey of N-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine?
The InChIKey is OFVRKBIYJPTHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NS/c13-11-7-9(12(14)16-11)8-15-10-5-3-1-2-4-6-10/h7,10,15H,1-6,8H2.
What are the key properties of N-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine?
N-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine has a molecular weight of 367.15 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine is sourced from PubChem (CID 107961490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).