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

C10H19N3O — CID 63176044

IUPAC2-[[amino(cyclopentyl)methylidene]amino]-N-ethylacetamide
SMILESCCNC(=O)C/N=C(\N)C1CCCC1
InChIInChI=1S/C10H19N3O/c1-2-12-9(14)7-13-10(11)8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,11,13)(H,12,14)
InChIKeyKILANFCVXXUPRR-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.67
Rot. Bonds4

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

2-[[amino(cyclopentyl)methylidene]amino]-N-ethylacetamide (PubChem CID 63176044) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[[amino(cyclopentyl)methylidene]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[amino(cyclopentyl)methylidene]amino]-N-ethylacetamide
PubChem CID63176044
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[[amino(cyclopentyl)methylidene]amino]-N-ethylacetamide
SMILESCCNC(=O)C/N=C(\N)C1CCCC1
InChIInChI=1S/C10H19N3O/c1-2-12-9(14)7-13-10(11)8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,11,13)(H,12,14)
InChIKeyKILANFCVXXUPRR-UHFFFAOYSA-N
XLogP0.67
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.67
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-ethylacetamide?
The IUPAC name of 2-[[amino(cyclopentyl)methylidene]amino]-N-ethylacetamide (CID 63176044) is 2-[[amino(cyclopentyl)methylidene]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[amino(cyclopentyl)methylidene]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[amino(cyclopentyl)methylidene]amino]-N-ethylacetamide is CCNC(=O)C/N=C(\N)C1CCCC1.
What is the InChIKey of 2-[[amino(cyclopentyl)methylidene]amino]-N-ethylacetamide?
The InChIKey is KILANFCVXXUPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-12-9(14)7-13-10(11)8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of 2-[[amino(cyclopentyl)methylidene]amino]-N-ethylacetamide?
2-[[amino(cyclopentyl)methylidene]amino]-N-ethylacetamide has a molecular weight of 197.28 g/mol, XLogP of 0.67, 4 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-ethylacetamide is sourced from PubChem (CID 63176044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).