N-(2-adamantylideneamino)adamantan-2-imine

C20H28N2 — CID 535070

IUPACN-(2-adamantylideneamino)adamantan-2-imine
SMILESC1C2CC3CC1CC(C2)C3=NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H28N2/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-22-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-18H,1-10H2/b21-19-,22-20-
InChIKeyFDTJNYSLUFATSC-WRBBJXAJSA-N
MW296.46 g/mol
LogP4.70
Rot. Bonds1

About N-(2-adamantylideneamino)adamantan-2-imine

N-(2-adamantylideneamino)adamantan-2-imine (PubChem CID 535070) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-(2-adamantylideneamino)adamantan-2-imine.

Molecular Properties

Compound NameN-(2-adamantylideneamino)adamantan-2-imine
PubChem CID535070
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC NameN-(2-adamantylideneamino)adamantan-2-imine
SMILESC1C2CC3CC1CC(C2)C3=NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H28N2/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-22-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-18H,1-10H2/b21-19-,22-20-
InChIKeyFDTJNYSLUFATSC-WRBBJXAJSA-N
XLogP4.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.70
H-Bond Donors ≤ 50
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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Related Compounds

Diazoadamantane
CID 560893
2-Adamantylidenehydrazine
CID 13017044
Diadamantyldiazomethane
CID 12035684
Bis(1-adamantyl)methylidenehydrazine
CID 12526702
2,4-Bis(diazo)adamantane
CID 560898
Diazodiamantane
CID 561689
2,6-Bis(diazo)adamantane
CID 562320
Hydrazidiamantane
CID 9603761
Diamantanone azine
CID 9604369
1,1-dicyclohexyl-N-(dicyclohexylmethylideneamino)methanimine
CID 21558387
Bis(1-adamantyl)methanimine
CID 87876115
2-[2-Adamantyl(diazo)methyl]adamantane
CID 137408771

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylideneamino)adamantan-2-imine?
The IUPAC name of N-(2-adamantylideneamino)adamantan-2-imine (CID 535070) is N-(2-adamantylideneamino)adamantan-2-imine.
What is the SMILES notation for N-(2-adamantylideneamino)adamantan-2-imine?
The canonical SMILES for N-(2-adamantylideneamino)adamantan-2-imine is C1C2CC3CC1CC(C2)C3=NN=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantylideneamino)adamantan-2-imine?
The InChIKey is FDTJNYSLUFATSC-WRBBJXAJSA-N. The full InChI is InChI=1S/C20H28N2/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-22-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-18H,1-10H2/b21-19-,22-20-.
What are the key properties of N-(2-adamantylideneamino)adamantan-2-imine?
N-(2-adamantylideneamino)adamantan-2-imine has a molecular weight of 296.46 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylideneamino)adamantan-2-imine is sourced from PubChem (CID 535070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).