N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine

C11H16BrNS — CID 63864670

IUPACN-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCC1CC1CN(C)Cc1sccc1Br
InChIInChI=1S/C11H16BrNS/c1-8-5-9(8)6-13(2)7-11-10(12)3-4-14-11/h3-4,8-9H,5-7H2,1-2H3
InChIKeyKRDZXNOEUWENLP-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.60
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine

N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine (PubChem CID 63864670) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
PubChem CID63864670
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCC1CC1CN(C)Cc1sccc1Br
InChIInChI=1S/C11H16BrNS/c1-8-5-9(8)6-13(2)7-11-10(12)3-4-14-11/h3-4,8-9H,5-7H2,1-2H3
InChIKeyKRDZXNOEUWENLP-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine 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-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine (CID 63864670) is N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine is CC1CC1CN(C)Cc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
The InChIKey is KRDZXNOEUWENLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-8-5-9(8)6-13(2)7-11-10(12)3-4-14-11/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine has a molecular weight of 274.23 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 63864670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).