3-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylpropanamide

C9H17N3O — CID 63176345

IUPAC3-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CC/N=C(\N)C1CC1
InChIInChI=1S/C9H17N3O/c1-12(2)8(13)5-6-11-9(10)7-3-4-7/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeyDGDSXZCQSXOQQX-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.23
Rot. Bonds4

About 3-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylpropanamide

3-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylpropanamide (PubChem CID 63176345) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylpropanamide
PubChem CID63176345
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CC/N=C(\N)C1CC1
InChIInChI=1S/C9H17N3O/c1-12(2)8(13)5-6-11-9(10)7-3-4-7/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeyDGDSXZCQSXOQQX-UHFFFAOYSA-N
XLogP0.23
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.23
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 3-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylpropanamide (CID 63176345) is 3-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylpropanamide is CN(C)C(=O)CC/N=C(\N)C1CC1.
What is the InChIKey of 3-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylpropanamide?
The InChIKey is DGDSXZCQSXOQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-12(2)8(13)5-6-11-9(10)7-3-4-7/h7H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of 3-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylpropanamide?
3-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylpropanamide has a molecular weight of 183.25 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 63176345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).