1-pentylpyrrolidin-2-imine;hydrobromide

C9H19BrN2 — CID 90654268

IUPAC1-pentylpyrrolidin-2-imine;hydrobromide
SMILESBr.[H]/N=C1\CCCN1CCCCC
InChIInChI=1S/C9H18N2.BrH/c1-2-3-4-7-11-8-5-6-9(11)10;/h10H,2-8H2,1H3;1H/b10-9+;
InChIKeyQXUWSBSXZQOHTJ-RRABGKBLSA-N
MW235.17 g/mol
LogP2.83
Rot. Bonds4

About 1-pentylpyrrolidin-2-imine;hydrobromide

1-pentylpyrrolidin-2-imine;hydrobromide (PubChem CID 90654268) has the molecular formula C9H19BrN2 and a molecular weight of 235.17 g/mol. Its IUPAC name is 1-pentylpyrrolidin-2-imine;hydrobromide.

Molecular Properties

Compound Name1-pentylpyrrolidin-2-imine;hydrobromide
PubChem CID90654268
Molecular FormulaC9H19BrN2
Molecular Weight235.17 g/mol
Exact Mass234.07
IUPAC Name1-pentylpyrrolidin-2-imine;hydrobromide
SMILESBr.[H]/N=C1\CCCN1CCCCC
InChIInChI=1S/C9H18N2.BrH/c1-2-3-4-7-11-8-5-6-9(11)10;/h10H,2-8H2,1H3;1H/b10-9+;
InChIKeyQXUWSBSXZQOHTJ-RRABGKBLSA-N
XLogP2.83
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-pentylpyrrolidin-2-imine;hydrobromide 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 1-pentylpyrrolidin-2-imine;hydrobromide?
The IUPAC name of 1-pentylpyrrolidin-2-imine;hydrobromide (CID 90654268) is 1-pentylpyrrolidin-2-imine;hydrobromide.
What is the SMILES notation for 1-pentylpyrrolidin-2-imine;hydrobromide?
The canonical SMILES for 1-pentylpyrrolidin-2-imine;hydrobromide is Br.[H]/N=C1\CCCN1CCCCC.
What is the InChIKey of 1-pentylpyrrolidin-2-imine;hydrobromide?
The InChIKey is QXUWSBSXZQOHTJ-RRABGKBLSA-N. The full InChI is InChI=1S/C9H18N2.BrH/c1-2-3-4-7-11-8-5-6-9(11)10;/h10H,2-8H2,1H3;1H/b10-9+;.
What are the key properties of 1-pentylpyrrolidin-2-imine;hydrobromide?
1-pentylpyrrolidin-2-imine;hydrobromide has a molecular weight of 235.17 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpyrrolidin-2-imine;hydrobromide is sourced from PubChem (CID 90654268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).