N-(2-adamantylideneamino)-2-methylbutanamide

C15H24N2O — CID 75363503

IUPACN-(2-adamantylideneamino)-2-methylbutanamide
SMILESCCC(C)C(=O)NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H24N2O/c1-3-9(2)15(18)17-16-14-12-5-10-4-11(7-12)8-13(14)6-10/h9-13H,3-8H2,1-2H3,(H,17,18)/b16-14-
InChIKeyULTYPWINPTUYMC-PEZBUJJGSA-N
MW248.37 g/mol
LogP2.96
Rot. Bonds3

About N-(2-adamantylideneamino)-2-methylbutanamide

N-(2-adamantylideneamino)-2-methylbutanamide (PubChem CID 75363503) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-adamantylideneamino)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-adamantylideneamino)-2-methylbutanamide
PubChem CID75363503
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2-adamantylideneamino)-2-methylbutanamide
SMILESCCC(C)C(=O)NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H24N2O/c1-3-9(2)15(18)17-16-14-12-5-10-4-11(7-12)8-13(14)6-10/h9-13H,3-8H2,1-2H3,(H,17,18)/b16-14-
InChIKeyULTYPWINPTUYMC-PEZBUJJGSA-N
XLogP2.96
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.96
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-adamantylideneamino)-2-methylbutanamide?
The IUPAC name of N-(2-adamantylideneamino)-2-methylbutanamide (CID 75363503) is N-(2-adamantylideneamino)-2-methylbutanamide.
What is the SMILES notation for N-(2-adamantylideneamino)-2-methylbutanamide?
The canonical SMILES for N-(2-adamantylideneamino)-2-methylbutanamide is CCC(C)C(=O)NN=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantylideneamino)-2-methylbutanamide?
The InChIKey is ULTYPWINPTUYMC-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-9(2)15(18)17-16-14-12-5-10-4-11(7-12)8-13(14)6-10/h9-13H,3-8H2,1-2H3,(H,17,18)/b16-14-.
What are the key properties of N-(2-adamantylideneamino)-2-methylbutanamide?
N-(2-adamantylideneamino)-2-methylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylideneamino)-2-methylbutanamide is sourced from PubChem (CID 75363503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).