2-(bromomethyl)-N-methyl-2-propyl-N-(1-thiophen-2-ylethyl)pentan-1-amine

C16H28BrNS — CID 65005326

IUPAC2-(bromomethyl)-N-methyl-2-propyl-N-(1-thiophen-2-ylethyl)pentan-1-amine
SMILESCCCC(CBr)(CCC)CN(C)C(C)c1cccs1
InChIInChI=1S/C16H28BrNS/c1-5-9-16(12-17,10-6-2)13-18(4)14(3)15-8-7-11-19-15/h7-8,11,14H,5-6,9-10,12-13H2,1-4H3
InChIKeyGEMGAKZFPDHEGX-UHFFFAOYSA-N
MW346.38 g/mol
LogP5.72
Rot. Bonds9

About 2-(bromomethyl)-N-methyl-2-propyl-N-(1-thiophen-2-ylethyl)pentan-1-amine

2-(bromomethyl)-N-methyl-2-propyl-N-(1-thiophen-2-ylethyl)pentan-1-amine (PubChem CID 65005326) has the molecular formula C16H28BrNS and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(bromomethyl)-N-methyl-2-propyl-N-(1-thiophen-2-ylethyl)pentan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N-methyl-2-propyl-N-(1-thiophen-2-ylethyl)pentan-1-amine
PubChem CID65005326
Molecular FormulaC16H28BrNS
Molecular Weight346.38 g/mol
Exact Mass345.11
IUPAC Name2-(bromomethyl)-N-methyl-2-propyl-N-(1-thiophen-2-ylethyl)pentan-1-amine
SMILESCCCC(CBr)(CCC)CN(C)C(C)c1cccs1
InChIInChI=1S/C16H28BrNS/c1-5-9-16(12-17,10-6-2)13-18(4)14(3)15-8-7-11-19-15/h7-8,11,14H,5-6,9-10,12-13H2,1-4H3
InChIKeyGEMGAKZFPDHEGX-UHFFFAOYSA-N
XLogP5.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.38
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-methyl-2-propyl-N-(1-thiophen-2-ylethyl)pentan-1-amine?
The IUPAC name of 2-(bromomethyl)-N-methyl-2-propyl-N-(1-thiophen-2-ylethyl)pentan-1-amine (CID 65005326) is 2-(bromomethyl)-N-methyl-2-propyl-N-(1-thiophen-2-ylethyl)pentan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N-methyl-2-propyl-N-(1-thiophen-2-ylethyl)pentan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N-methyl-2-propyl-N-(1-thiophen-2-ylethyl)pentan-1-amine is CCCC(CBr)(CCC)CN(C)C(C)c1cccs1.
What is the InChIKey of 2-(bromomethyl)-N-methyl-2-propyl-N-(1-thiophen-2-ylethyl)pentan-1-amine?
The InChIKey is GEMGAKZFPDHEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrNS/c1-5-9-16(12-17,10-6-2)13-18(4)14(3)15-8-7-11-19-15/h7-8,11,14H,5-6,9-10,12-13H2,1-4H3.
What are the key properties of 2-(bromomethyl)-N-methyl-2-propyl-N-(1-thiophen-2-ylethyl)pentan-1-amine?
2-(bromomethyl)-N-methyl-2-propyl-N-(1-thiophen-2-ylethyl)pentan-1-amine has a molecular weight of 346.38 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-methyl-2-propyl-N-(1-thiophen-2-ylethyl)pentan-1-amine is sourced from PubChem (CID 65005326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).