N-methyl-1-[4-(2-methylpropyl)-5-propan-2-ylthiophen-3-yl]methanamine

C13H23NS — CID 114868937

IUPACN-methyl-1-[4-(2-methylpropyl)-5-propan-2-ylthiophen-3-yl]methanamine
SMILESCNCc1csc(C(C)C)c1CC(C)C
InChIInChI=1S/C13H23NS/c1-9(2)6-12-11(7-14-5)8-15-13(12)10(3)4/h8-10,14H,6-7H2,1-5H3
InChIKeyUDWHMRAUPMFIOJ-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.79
Rot. Bonds5

About N-methyl-1-[4-(2-methylpropyl)-5-propan-2-ylthiophen-3-yl]methanamine

N-methyl-1-[4-(2-methylpropyl)-5-propan-2-ylthiophen-3-yl]methanamine (PubChem CID 114868937) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylpropyl)-5-propan-2-ylthiophen-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylpropyl)-5-propan-2-ylthiophen-3-yl]methanamine
PubChem CID114868937
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-methyl-1-[4-(2-methylpropyl)-5-propan-2-ylthiophen-3-yl]methanamine
SMILESCNCc1csc(C(C)C)c1CC(C)C
InChIInChI=1S/C13H23NS/c1-9(2)6-12-11(7-14-5)8-15-13(12)10(3)4/h8-10,14H,6-7H2,1-5H3
InChIKeyUDWHMRAUPMFIOJ-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylpropyl)-5-propan-2-ylthiophen-3-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-methylpropyl)-5-propan-2-ylthiophen-3-yl]methanamine (CID 114868937) is N-methyl-1-[4-(2-methylpropyl)-5-propan-2-ylthiophen-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methylpropyl)-5-propan-2-ylthiophen-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-methylpropyl)-5-propan-2-ylthiophen-3-yl]methanamine is CNCc1csc(C(C)C)c1CC(C)C.
What is the InChIKey of N-methyl-1-[4-(2-methylpropyl)-5-propan-2-ylthiophen-3-yl]methanamine?
The InChIKey is UDWHMRAUPMFIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-9(2)6-12-11(7-14-5)8-15-13(12)10(3)4/h8-10,14H,6-7H2,1-5H3.
What are the key properties of N-methyl-1-[4-(2-methylpropyl)-5-propan-2-ylthiophen-3-yl]methanamine?
N-methyl-1-[4-(2-methylpropyl)-5-propan-2-ylthiophen-3-yl]methanamine has a molecular weight of 225.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylpropyl)-5-propan-2-ylthiophen-3-yl]methanamine is sourced from PubChem (CID 114868937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).