2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine

C9H19N3 — CID 68770074

IUPAC2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine
SMILESNN1CCCC1CN1CCCC1
InChIInChI=1S/C9H19N3/c10-12-7-3-4-9(12)8-11-5-1-2-6-11/h9H,1-8,10H2
InChIKeySJSKWUKNPRWEMC-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.42
Rot. Bonds2

About 2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine

2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine (PubChem CID 68770074) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine
PubChem CID68770074
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine
SMILESNN1CCCC1CN1CCCC1
InChIInChI=1S/C9H19N3/c10-12-7-3-4-9(12)8-11-5-1-2-6-11/h9H,1-8,10H2
InChIKeySJSKWUKNPRWEMC-UHFFFAOYSA-N
XLogP0.42
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine (CID 68770074) is 2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine is NN1CCCC1CN1CCCC1.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine?
The InChIKey is SJSKWUKNPRWEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c10-12-7-3-4-9(12)8-11-5-1-2-6-11/h9H,1-8,10H2.
What are the key properties of 2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine?
2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine has a molecular weight of 169.27 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine is sourced from PubChem (CID 68770074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).