1-propylpyrrolidin-2-imine

C7H14N2 — CID 43121967

IUPAC1-propylpyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCC
InChIInChI=1S/C7H14N2/c1-2-5-9-6-3-4-7(9)8/h8H,2-6H2,1H3/b8-7+
InChIKeyUXPWXOOVYRUKDM-BQYQJAHWSA-N
MW126.20 g/mol
LogP1.47
Rot. Bonds2

About 1-propylpyrrolidin-2-imine

1-propylpyrrolidin-2-imine (PubChem CID 43121967) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-propylpyrrolidin-2-imine.

Molecular Properties

Compound Name1-propylpyrrolidin-2-imine
PubChem CID43121967
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-propylpyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCC
InChIInChI=1S/C7H14N2/c1-2-5-9-6-3-4-7(9)8/h8H,2-6H2,1H3/b8-7+
InChIKeyUXPWXOOVYRUKDM-BQYQJAHWSA-N
XLogP1.47
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propylpyrrolidin-2-imine?
The IUPAC name of 1-propylpyrrolidin-2-imine (CID 43121967) is 1-propylpyrrolidin-2-imine.
What is the SMILES notation for 1-propylpyrrolidin-2-imine?
The canonical SMILES for 1-propylpyrrolidin-2-imine is [H]/N=C1\CCCN1CCC.
What is the InChIKey of 1-propylpyrrolidin-2-imine?
The InChIKey is UXPWXOOVYRUKDM-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-5-9-6-3-4-7(9)8/h8H,2-6H2,1H3/b8-7+.
What are the key properties of 1-propylpyrrolidin-2-imine?
1-propylpyrrolidin-2-imine has a molecular weight of 126.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpyrrolidin-2-imine is sourced from PubChem (CID 43121967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).