N-(cyclopentylideneamino)-2-(dimethylamino)acetamide

C9H17N3O — CID 130636864

IUPACN-(cyclopentylideneamino)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NN=C1CCCC1
InChIInChI=1S/C9H17N3O/c1-12(2)7-9(13)11-10-8-5-3-4-6-8/h3-7H2,1-2H3,(H,11,13)
InChIKeyVRNYHWDYSWZTTQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.59
Rot. Bonds3

About N-(cyclopentylideneamino)-2-(dimethylamino)acetamide

N-(cyclopentylideneamino)-2-(dimethylamino)acetamide (PubChem CID 130636864) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-2-(dimethylamino)acetamide
PubChem CID130636864
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(cyclopentylideneamino)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NN=C1CCCC1
InChIInChI=1S/C9H17N3O/c1-12(2)7-9(13)11-10-8-5-3-4-6-8/h3-7H2,1-2H3,(H,11,13)
InChIKeyVRNYHWDYSWZTTQ-UHFFFAOYSA-N
XLogP0.59
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.59
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 N-(cyclopentylideneamino)-2-(dimethylamino)acetamide?
The IUPAC name of N-(cyclopentylideneamino)-2-(dimethylamino)acetamide (CID 130636864) is N-(cyclopentylideneamino)-2-(dimethylamino)acetamide.
What is the SMILES notation for N-(cyclopentylideneamino)-2-(dimethylamino)acetamide?
The canonical SMILES for N-(cyclopentylideneamino)-2-(dimethylamino)acetamide is CN(C)CC(=O)NN=C1CCCC1.
What is the InChIKey of N-(cyclopentylideneamino)-2-(dimethylamino)acetamide?
The InChIKey is VRNYHWDYSWZTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-12(2)7-9(13)11-10-8-5-3-4-6-8/h3-7H2,1-2H3,(H,11,13).
What are the key properties of N-(cyclopentylideneamino)-2-(dimethylamino)acetamide?
N-(cyclopentylideneamino)-2-(dimethylamino)acetamide has a molecular weight of 183.25 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-2-(dimethylamino)acetamide is sourced from PubChem (CID 130636864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).