2-(dimethylamino)-N-(propan-2-ylideneamino)propanamide

C8H17N3O — CID 23272786

IUPAC2-(dimethylamino)-N-(propan-2-ylideneamino)propanamide
SMILESCC(C)=NNC(=O)C(C)N(C)C
InChIInChI=1S/C8H17N3O/c1-6(2)9-10-8(12)7(3)11(4)5/h7H,1-5H3,(H,10,12)
InChIKeyFKWVNCJNAUVXFW-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.45
Rot. Bonds3

About 2-(dimethylamino)-N-(propan-2-ylideneamino)propanamide

2-(dimethylamino)-N-(propan-2-ylideneamino)propanamide (PubChem CID 23272786) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(propan-2-ylideneamino)propanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(propan-2-ylideneamino)propanamide
PubChem CID23272786
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(dimethylamino)-N-(propan-2-ylideneamino)propanamide
SMILESCC(C)=NNC(=O)C(C)N(C)C
InChIInChI=1S/C8H17N3O/c1-6(2)9-10-8(12)7(3)11(4)5/h7H,1-5H3,(H,10,12)
InChIKeyFKWVNCJNAUVXFW-UHFFFAOYSA-N
XLogP0.45
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(propan-2-ylideneamino)propanamide?
The IUPAC name of 2-(dimethylamino)-N-(propan-2-ylideneamino)propanamide (CID 23272786) is 2-(dimethylamino)-N-(propan-2-ylideneamino)propanamide.
What is the SMILES notation for 2-(dimethylamino)-N-(propan-2-ylideneamino)propanamide?
The canonical SMILES for 2-(dimethylamino)-N-(propan-2-ylideneamino)propanamide is CC(C)=NNC(=O)C(C)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(propan-2-ylideneamino)propanamide?
The InChIKey is FKWVNCJNAUVXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(2)9-10-8(12)7(3)11(4)5/h7H,1-5H3,(H,10,12).
What are the key properties of 2-(dimethylamino)-N-(propan-2-ylideneamino)propanamide?
2-(dimethylamino)-N-(propan-2-ylideneamino)propanamide has a molecular weight of 171.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(propan-2-ylideneamino)propanamide is sourced from PubChem (CID 23272786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).