2-(1-aminoethylideneamino)-N-propan-2-ylacetamide

C7H15N3O — CID 63173658

IUPAC2-(1-aminoethylideneamino)-N-propan-2-ylacetamide
SMILESC/C(N)=N\CC(=O)NC(C)C
InChIInChI=1S/C7H15N3O/c1-5(2)10-7(11)4-9-6(3)8/h5H,4H2,1-3H3,(H2,8,9)(H,10,11)
InChIKeyGFWLCMWKZWHXTI-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.11
Rot. Bonds3

About 2-(1-aminoethylideneamino)-N-propan-2-ylacetamide

2-(1-aminoethylideneamino)-N-propan-2-ylacetamide (PubChem CID 63173658) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-(1-aminoethylideneamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-aminoethylideneamino)-N-propan-2-ylacetamide
PubChem CID63173658
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-(1-aminoethylideneamino)-N-propan-2-ylacetamide
SMILESC/C(N)=N\CC(=O)NC(C)C
InChIInChI=1S/C7H15N3O/c1-5(2)10-7(11)4-9-6(3)8/h5H,4H2,1-3H3,(H2,8,9)(H,10,11)
InChIKeyGFWLCMWKZWHXTI-UHFFFAOYSA-N
XLogP-0.11
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.11
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-(1-aminoethylideneamino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-aminoethylideneamino)-N-propan-2-ylacetamide (CID 63173658) is 2-(1-aminoethylideneamino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-aminoethylideneamino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-aminoethylideneamino)-N-propan-2-ylacetamide is C/C(N)=N\CC(=O)NC(C)C.
What is the InChIKey of 2-(1-aminoethylideneamino)-N-propan-2-ylacetamide?
The InChIKey is GFWLCMWKZWHXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-5(2)10-7(11)4-9-6(3)8/h5H,4H2,1-3H3,(H2,8,9)(H,10,11).
What are the key properties of 2-(1-aminoethylideneamino)-N-propan-2-ylacetamide?
2-(1-aminoethylideneamino)-N-propan-2-ylacetamide has a molecular weight of 157.22 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethylideneamino)-N-propan-2-ylacetamide is sourced from PubChem (CID 63173658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).