N-(2,2-dimethylpropylideneamino)cyclopropanecarboxamide

C9H16N2O — CID 2818738

IUPACN-(2,2-dimethylpropylideneamino)cyclopropanecarboxamide
SMILESCC(C)(C)C=NNC(=O)C1CC1
InChIInChI=1S/C9H16N2O/c1-9(2,3)6-10-11-8(12)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyQVXDVVROGIEVLJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.54
Rot. Bonds2

About N-(2,2-dimethylpropylideneamino)cyclopropanecarboxamide

N-(2,2-dimethylpropylideneamino)cyclopropanecarboxamide (PubChem CID 2818738) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(2,2-dimethylpropylideneamino)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropylideneamino)cyclopropanecarboxamide
PubChem CID2818738
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(2,2-dimethylpropylideneamino)cyclopropanecarboxamide
SMILESCC(C)(C)C=NNC(=O)C1CC1
InChIInChI=1S/C9H16N2O/c1-9(2,3)6-10-11-8(12)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyQVXDVVROGIEVLJ-UHFFFAOYSA-N
XLogP1.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,2-dimethylpropylideneamino)cyclopropanecarboxamide?
The IUPAC name of N-(2,2-dimethylpropylideneamino)cyclopropanecarboxamide (CID 2818738) is N-(2,2-dimethylpropylideneamino)cyclopropanecarboxamide.
What is the SMILES notation for N-(2,2-dimethylpropylideneamino)cyclopropanecarboxamide?
The canonical SMILES for N-(2,2-dimethylpropylideneamino)cyclopropanecarboxamide is CC(C)(C)C=NNC(=O)C1CC1.
What is the InChIKey of N-(2,2-dimethylpropylideneamino)cyclopropanecarboxamide?
The InChIKey is QVXDVVROGIEVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(2,3)6-10-11-8(12)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,11,12).
What are the key properties of N-(2,2-dimethylpropylideneamino)cyclopropanecarboxamide?
N-(2,2-dimethylpropylideneamino)cyclopropanecarboxamide has a molecular weight of 168.24 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropylideneamino)cyclopropanecarboxamide is sourced from PubChem (CID 2818738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).