2-[[amino(cyclopentyl)methylidene]amino]-N-propylacetamide

C11H21N3O — CID 63175477

IUPAC2-[[amino(cyclopentyl)methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\N)C1CCCC1
InChIInChI=1S/C11H21N3O/c1-2-7-13-10(15)8-14-11(12)9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,12,14)(H,13,15)
InChIKeyBZXDEZBPLWLDTF-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.06
Rot. Bonds5

About 2-[[amino(cyclopentyl)methylidene]amino]-N-propylacetamide

2-[[amino(cyclopentyl)methylidene]amino]-N-propylacetamide (PubChem CID 63175477) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[[amino(cyclopentyl)methylidene]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[amino(cyclopentyl)methylidene]amino]-N-propylacetamide
PubChem CID63175477
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[[amino(cyclopentyl)methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\N)C1CCCC1
InChIInChI=1S/C11H21N3O/c1-2-7-13-10(15)8-14-11(12)9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,12,14)(H,13,15)
InChIKeyBZXDEZBPLWLDTF-UHFFFAOYSA-N
XLogP1.06
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[amino(cyclopentyl)methylidene]amino]-N-propylacetamide?
The IUPAC name of 2-[[amino(cyclopentyl)methylidene]amino]-N-propylacetamide (CID 63175477) is 2-[[amino(cyclopentyl)methylidene]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[amino(cyclopentyl)methylidene]amino]-N-propylacetamide?
The canonical SMILES for 2-[[amino(cyclopentyl)methylidene]amino]-N-propylacetamide is CCCNC(=O)C/N=C(\N)C1CCCC1.
What is the InChIKey of 2-[[amino(cyclopentyl)methylidene]amino]-N-propylacetamide?
The InChIKey is BZXDEZBPLWLDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-7-13-10(15)8-14-11(12)9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 2-[[amino(cyclopentyl)methylidene]amino]-N-propylacetamide?
2-[[amino(cyclopentyl)methylidene]amino]-N-propylacetamide has a molecular weight of 211.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(cyclopentyl)methylidene]amino]-N-propylacetamide is sourced from PubChem (CID 63175477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).