[3-(diaminomethylideneamino)cyclopentyl] formate

C7H13N3O2 — CID 88834412

IUPAC[3-(diaminomethylideneamino)cyclopentyl] formate
SMILESNC(N)=NC1CCC(OC=O)C1
InChIInChI=1S/C7H13N3O2/c8-7(9)10-5-1-2-6(3-5)12-4-11/h4-6H,1-3H2,(H4,8,9,10)
InChIKeyZWBPVCDDOMASKC-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.65
Rot. Bonds3

About [3-(diaminomethylideneamino)cyclopentyl] formate

[3-(diaminomethylideneamino)cyclopentyl] formate (PubChem CID 88834412) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is [3-(diaminomethylideneamino)cyclopentyl] formate.

Molecular Properties

Compound Name[3-(diaminomethylideneamino)cyclopentyl] formate
PubChem CID88834412
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name[3-(diaminomethylideneamino)cyclopentyl] formate
SMILESNC(N)=NC1CCC(OC=O)C1
InChIInChI=1S/C7H13N3O2/c8-7(9)10-5-1-2-6(3-5)12-4-11/h4-6H,1-3H2,(H4,8,9,10)
InChIKeyZWBPVCDDOMASKC-UHFFFAOYSA-N
XLogP-0.65
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 [3-(diaminomethylideneamino)cyclopentyl] formate?
The IUPAC name of [3-(diaminomethylideneamino)cyclopentyl] formate (CID 88834412) is [3-(diaminomethylideneamino)cyclopentyl] formate.
What is the SMILES notation for [3-(diaminomethylideneamino)cyclopentyl] formate?
The canonical SMILES for [3-(diaminomethylideneamino)cyclopentyl] formate is NC(N)=NC1CCC(OC=O)C1.
What is the InChIKey of [3-(diaminomethylideneamino)cyclopentyl] formate?
The InChIKey is ZWBPVCDDOMASKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-7(9)10-5-1-2-6(3-5)12-4-11/h4-6H,1-3H2,(H4,8,9,10).
What are the key properties of [3-(diaminomethylideneamino)cyclopentyl] formate?
[3-(diaminomethylideneamino)cyclopentyl] formate has a molecular weight of 171.20 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diaminomethylideneamino)cyclopentyl] formate is sourced from PubChem (CID 88834412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).