N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

C16H22N4O — CID 71900864

IUPACN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NN=CC2=CCC3CC2C3(C)C)n[nH]1
InChIInChI=1S/C16H22N4O/c1-10-6-13(19-18-10)8-15(21)20-17-9-11-4-5-12-7-14(11)16(12,2)3/h4,6,9,12,14H,5,7-8H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyURXYEEWUPNCTFS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.36
Rot. Bonds4

About N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 71900864) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID71900864
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NN=CC2=CCC3CC2C3(C)C)n[nH]1
InChIInChI=1S/C16H22N4O/c1-10-6-13(19-18-10)8-15(21)20-17-9-11-4-5-12-7-14(11)16(12,2)3/h4,6,9,12,14H,5,7-8H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyURXYEEWUPNCTFS-UHFFFAOYSA-N
XLogP2.36
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
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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Related Compounds

N-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 29355727
N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 129449448
N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 29226307
N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide
CID 98390251
N-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 98307977
2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide
CID 129449162
N-[(E)-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 46804310
4-amino-3,5,6-trichloro-N-[(E)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridin-1-ium-2-carboxamide
CID 135830089
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75393319
N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2,3,5,6-tetrafluoropyridin-4-amine
CID 129420595
N-[(E)-(3-ethylcyclopentylidene)amino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75417655
1-[4-(difluoromethylsulfanyl)phenyl]-3-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]thiourea
CID 9155482

Frequently Asked Questions

What is the IUPAC name of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 71900864) is N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(CC(=O)NN=CC2=CCC3CC2C3(C)C)n[nH]1.
What is the InChIKey of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is URXYEEWUPNCTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-6-13(19-18-10)8-15(21)20-17-9-11-4-5-12-7-14(11)16(12,2)3/h4,6,9,12,14H,5,7-8H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 71900864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).