N-(2-adamantylideneamino)-2-cyanoacetamide

C13H17N3O — CID 535071

IUPACN-(2-adamantylideneamino)-2-cyanoacetamide
SMILESN#CCC(=O)NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H17N3O/c14-2-1-12(17)15-16-13-10-4-8-3-9(6-10)7-11(13)5-8/h8-11H,1,3-7H2,(H,15,17)/b16-13-
InChIKeyHLNIWNNACNCFLV-SSZFMOIBSA-N
MW231.30 g/mol
LogP1.83
Rot. Bonds2

About N-(2-adamantylideneamino)-2-cyanoacetamide

N-(2-adamantylideneamino)-2-cyanoacetamide (PubChem CID 535071) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(2-adamantylideneamino)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(2-adamantylideneamino)-2-cyanoacetamide
PubChem CID535071
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(2-adamantylideneamino)-2-cyanoacetamide
SMILESN#CCC(=O)NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H17N3O/c14-2-1-12(17)15-16-13-10-4-8-3-9(6-10)7-11(13)5-8/h8-11H,1,3-7H2,(H,15,17)/b16-13-
InChIKeyHLNIWNNACNCFLV-SSZFMOIBSA-N
XLogP1.83
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.83
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-(2-adamantylideneamino)-2-cyanoacetamide?
The IUPAC name of N-(2-adamantylideneamino)-2-cyanoacetamide (CID 535071) is N-(2-adamantylideneamino)-2-cyanoacetamide.
What is the SMILES notation for N-(2-adamantylideneamino)-2-cyanoacetamide?
The canonical SMILES for N-(2-adamantylideneamino)-2-cyanoacetamide is N#CCC(=O)NN=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantylideneamino)-2-cyanoacetamide?
The InChIKey is HLNIWNNACNCFLV-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H17N3O/c14-2-1-12(17)15-16-13-10-4-8-3-9(6-10)7-11(13)5-8/h8-11H,1,3-7H2,(H,15,17)/b16-13-.
What are the key properties of N-(2-adamantylideneamino)-2-cyanoacetamide?
N-(2-adamantylideneamino)-2-cyanoacetamide has a molecular weight of 231.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylideneamino)-2-cyanoacetamide is sourced from PubChem (CID 535071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).