2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide

C7H15N5O — CID 73129025

IUPAC2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide
SMILESNC(N)=NCC(=O)NC1CCNC1
InChIInChI=1S/C7H15N5O/c8-7(9)11-4-6(13)12-5-1-2-10-3-5/h5,10H,1-4H2,(H,12,13)(H4,8,9,11)
InChIKeyBLHOQQPCFDSPDO-UHFFFAOYSA-N
MW185.23 g/mol
LogP-2.26
Rot. Bonds3

About 2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide

2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide (PubChem CID 73129025) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide
PubChem CID73129025
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC Name2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide
SMILESNC(N)=NCC(=O)NC1CCNC1
InChIInChI=1S/C7H15N5O/c8-7(9)11-4-6(13)12-5-1-2-10-3-5/h5,10H,1-4H2,(H,12,13)(H4,8,9,11)
InChIKeyBLHOQQPCFDSPDO-UHFFFAOYSA-N
XLogP-2.26
TPSA105.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-2.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide (CID 73129025) is 2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide is NC(N)=NCC(=O)NC1CCNC1.
What is the InChIKey of 2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide?
The InChIKey is BLHOQQPCFDSPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O/c8-7(9)11-4-6(13)12-5-1-2-10-3-5/h5,10H,1-4H2,(H,12,13)(H4,8,9,11).
What are the key properties of 2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide?
2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide has a molecular weight of 185.23 g/mol, XLogP of -2.26, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 73129025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).