1-pentylpyrrolidin-2-imine

C9H18N2 — CID 43121918

IUPAC1-pentylpyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCCCC
InChIInChI=1S/C9H18N2/c1-2-3-4-7-11-8-5-6-9(11)10/h10H,2-8H2,1H3/b10-9+
InChIKeyQIUVTCZKLTWXIY-MDZDMXLPSA-N
MW154.26 g/mol
LogP2.25
Rot. Bonds4

About 1-pentylpyrrolidin-2-imine

1-pentylpyrrolidin-2-imine (PubChem CID 43121918) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-pentylpyrrolidin-2-imine.

Molecular Properties

Compound Name1-pentylpyrrolidin-2-imine
PubChem CID43121918
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-pentylpyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCCCC
InChIInChI=1S/C9H18N2/c1-2-3-4-7-11-8-5-6-9(11)10/h10H,2-8H2,1H3/b10-9+
InChIKeyQIUVTCZKLTWXIY-MDZDMXLPSA-N
XLogP2.25
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.25
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-pentylpyrrolidin-2-imine?
The IUPAC name of 1-pentylpyrrolidin-2-imine (CID 43121918) is 1-pentylpyrrolidin-2-imine.
What is the SMILES notation for 1-pentylpyrrolidin-2-imine?
The canonical SMILES for 1-pentylpyrrolidin-2-imine is [H]/N=C1\CCCN1CCCCC.
What is the InChIKey of 1-pentylpyrrolidin-2-imine?
The InChIKey is QIUVTCZKLTWXIY-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-3-4-7-11-8-5-6-9(11)10/h10H,2-8H2,1H3/b10-9+.
What are the key properties of 1-pentylpyrrolidin-2-imine?
1-pentylpyrrolidin-2-imine has a molecular weight of 154.26 g/mol, XLogP of 2.25, 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 is sourced from PubChem (CID 43121918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).