2-[[amino(cyclopropyl)methylidene]amino]-N-ethyl-N-methylpropanamide

C10H19N3O — CID 103113540

IUPAC2-[[amino(cyclopropyl)methylidene]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)/N=C(\N)C1CC1
InChIInChI=1S/C10H19N3O/c1-4-13(3)10(14)7(2)12-9(11)8-5-6-8/h7-8H,4-6H2,1-3H3,(H2,11,12)
InChIKeyFIYRYEQHBNCZKV-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.62
Rot. Bonds4

About 2-[[amino(cyclopropyl)methylidene]amino]-N-ethyl-N-methylpropanamide

2-[[amino(cyclopropyl)methylidene]amino]-N-ethyl-N-methylpropanamide (PubChem CID 103113540) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[[amino(cyclopropyl)methylidene]amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[[amino(cyclopropyl)methylidene]amino]-N-ethyl-N-methylpropanamide
PubChem CID103113540
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[[amino(cyclopropyl)methylidene]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)/N=C(\N)C1CC1
InChIInChI=1S/C10H19N3O/c1-4-13(3)10(14)7(2)12-9(11)8-5-6-8/h7-8H,4-6H2,1-3H3,(H2,11,12)
InChIKeyFIYRYEQHBNCZKV-UHFFFAOYSA-N
XLogP0.62
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
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(cyclopropyl)methylidene]amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[[amino(cyclopropyl)methylidene]amino]-N-ethyl-N-methylpropanamide (CID 103113540) is 2-[[amino(cyclopropyl)methylidene]amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[[amino(cyclopropyl)methylidene]amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[[amino(cyclopropyl)methylidene]amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)/N=C(\N)C1CC1.
What is the InChIKey of 2-[[amino(cyclopropyl)methylidene]amino]-N-ethyl-N-methylpropanamide?
The InChIKey is FIYRYEQHBNCZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-13(3)10(14)7(2)12-9(11)8-5-6-8/h7-8H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of 2-[[amino(cyclopropyl)methylidene]amino]-N-ethyl-N-methylpropanamide?
2-[[amino(cyclopropyl)methylidene]amino]-N-ethyl-N-methylpropanamide has a molecular weight of 197.28 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(cyclopropyl)methylidene]amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103113540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).