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

C8H17N5O — CID 140991929

IUPAC2-(diaminomethylideneamino)-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)CN=C(N)N)C1CCNC1
InChIInChI=1S/C8H17N5O/c1-13(6-2-3-11-4-6)7(14)5-12-8(9)10/h6,11H,2-5H2,1H3,(H4,9,10,12)
InChIKeyKWUZLRHAZZBRSU-UHFFFAOYSA-N
MW199.26 g/mol
LogP-1.92
Rot. Bonds3

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

2-(diaminomethylideneamino)-N-methyl-N-pyrrolidin-3-ylacetamide (PubChem CID 140991929) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-N-methyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-N-methyl-N-pyrrolidin-3-ylacetamide
PubChem CID140991929
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC Name2-(diaminomethylideneamino)-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)CN=C(N)N)C1CCNC1
InChIInChI=1S/C8H17N5O/c1-13(6-2-3-11-4-6)7(14)5-12-8(9)10/h6,11H,2-5H2,1H3,(H4,9,10,12)
InChIKeyKWUZLRHAZZBRSU-UHFFFAOYSA-N
XLogP-1.92
TPSA96.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
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-methyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(diaminomethylideneamino)-N-methyl-N-pyrrolidin-3-ylacetamide (CID 140991929) is 2-(diaminomethylideneamino)-N-methyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(diaminomethylideneamino)-N-methyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(diaminomethylideneamino)-N-methyl-N-pyrrolidin-3-ylacetamide is CN(C(=O)CN=C(N)N)C1CCNC1.
What is the InChIKey of 2-(diaminomethylideneamino)-N-methyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is KWUZLRHAZZBRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-13(6-2-3-11-4-6)7(14)5-12-8(9)10/h6,11H,2-5H2,1H3,(H4,9,10,12).
What are the key properties of 2-(diaminomethylideneamino)-N-methyl-N-pyrrolidin-3-ylacetamide?
2-(diaminomethylideneamino)-N-methyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 199.26 g/mol, XLogP of -1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)-N-methyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 140991929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).