N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine

C14H22BrNS — CID 65196718

IUPACN-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2sccc2Br)CCC1
InChIInChI=1S/C14H22BrNS/c1-11(2)9-16-10-14(5-3-6-14)8-13-12(15)4-7-17-13/h4,7,11,16H,3,5-6,8-10H2,1-2H3
InChIKeyLBTZMRSRDWKAED-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.47
Rot. Bonds6

About N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine

N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 65196718) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID65196718
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC NameN-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2sccc2Br)CCC1
InChIInChI=1S/C14H22BrNS/c1-11(2)9-16-10-14(5-3-6-14)8-13-12(15)4-7-17-13/h4,7,11,16H,3,5-6,8-10H2,1-2H3
InChIKeyLBTZMRSRDWKAED-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine (CID 65196718) is N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(Cc2sccc2Br)CCC1.
What is the InChIKey of N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is LBTZMRSRDWKAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-11(2)9-16-10-14(5-3-6-14)8-13-12(15)4-7-17-13/h4,7,11,16H,3,5-6,8-10H2,1-2H3.
What are the key properties of N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 316.31 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65196718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).