N'-(2-adamantylideneamino)methanediimine

C11H15N3 — CID 135043577

IUPACN'-(2-adamantylideneamino)methanediimine
SMILESN=C=NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H15N3/c12-6-13-14-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-10,12H,1-5H2/b14-11-
InChIKeyPGVQEDLDVVHVJK-KAMYIIQDSA-N
MW189.26 g/mol
LogP2.55
Rot. Bonds1

About N'-(2-adamantylideneamino)methanediimine

N'-(2-adamantylideneamino)methanediimine (PubChem CID 135043577) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N'-(2-adamantylideneamino)methanediimine.

Molecular Properties

Compound NameN'-(2-adamantylideneamino)methanediimine
PubChem CID135043577
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN'-(2-adamantylideneamino)methanediimine
SMILESN=C=NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H15N3/c12-6-13-14-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-10,12H,1-5H2/b14-11-
InChIKeyPGVQEDLDVVHVJK-KAMYIIQDSA-N
XLogP2.55
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.55
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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Related Compounds

2-[(E)-(1-decyl-2-adamantylidene)amino]guanidine
CID 44457348
2-[(E)-(1-tetradecyl-2-adamantylidene)amino]guanidine
CID 44457349
Diazoadamantane
CID 560893
Adamantanonimine
CID 3028234
2-Adamantylidenehydrazine
CID 13017044
(2-Adamantylideneamino)-(diaminomethylidene)azanium
CID 8037560
2-(2-Adamantylideneamino)guanidine
CID 8037561
2-[[4-(Diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine
CID 78096015
2-[[6-(Diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine
CID 102193358
2-[(Z)-[(4Z)-4-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine
CID 135027223
2,4-Bis(diazo)adamantane
CID 560898
2,6-Bis(diazo)adamantane
CID 562320

Frequently Asked Questions

What is the IUPAC name of N'-(2-adamantylideneamino)methanediimine?
The IUPAC name of N'-(2-adamantylideneamino)methanediimine (CID 135043577) is N'-(2-adamantylideneamino)methanediimine.
What is the SMILES notation for N'-(2-adamantylideneamino)methanediimine?
The canonical SMILES for N'-(2-adamantylideneamino)methanediimine is N=C=NN=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N'-(2-adamantylideneamino)methanediimine?
The InChIKey is PGVQEDLDVVHVJK-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H15N3/c12-6-13-14-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-10,12H,1-5H2/b14-11-.
What are the key properties of N'-(2-adamantylideneamino)methanediimine?
N'-(2-adamantylideneamino)methanediimine has a molecular weight of 189.26 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-adamantylideneamino)methanediimine is sourced from PubChem (CID 135043577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).