1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine

C10H19N3 — CID 62640522

IUPAC1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCN1CCCC1
InChIInChI=1S/C10H19N3/c11-10-4-3-7-13(10)9-8-12-5-1-2-6-12/h11H,1-9H2/b11-10+
InChIKeyQPBVTZCIECJYKI-ZHACJKMWSA-N
MW181.28 g/mol
LogP1.16
Rot. Bonds3

About 1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine

1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine (PubChem CID 62640522) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine
PubChem CID62640522
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCN1CCCC1
InChIInChI=1S/C10H19N3/c11-10-4-3-7-13(10)9-8-12-5-1-2-6-12/h11H,1-9H2/b11-10+
InChIKeyQPBVTZCIECJYKI-ZHACJKMWSA-N
XLogP1.16
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine?
The IUPAC name of 1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine (CID 62640522) is 1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1CCN1CCCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine?
The InChIKey is QPBVTZCIECJYKI-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H19N3/c11-10-4-3-7-13(10)9-8-12-5-1-2-6-12/h11H,1-9H2/b11-10+.
What are the key properties of 1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine?
1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine has a molecular weight of 181.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine is sourced from PubChem (CID 62640522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).