adamantan-1-amine;diiminoazanium

C10H19N4+ — CID 175053883

IUPACadamantan-1-amine;diiminoazanium
SMILESN=[N+]=N.NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17N.H2N3/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-3-2/h7-9H,1-6,11H2;1-2H/q;+1
InChIKeyKYAWEUOWWATBMU-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.03
Rot. Bonds

About adamantan-1-amine;diiminoazanium

adamantan-1-amine;diiminoazanium (PubChem CID 175053883) has the molecular formula C10H19N4+ and a molecular weight of 195.29 g/mol. Its IUPAC name is adamantan-1-amine;diiminoazanium.

Molecular Properties

Compound Nameadamantan-1-amine;diiminoazanium
PubChem CID175053883
Molecular FormulaC10H19N4+
Molecular Weight195.29 g/mol
Exact Mass195.16
IUPAC Nameadamantan-1-amine;diiminoazanium
SMILESN=[N+]=N.NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17N.H2N3/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-3-2/h7-9H,1-6,11H2;1-2H/q;+1
InChIKeyKYAWEUOWWATBMU-UHFFFAOYSA-N
XLogP2.03
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of adamantan-1-amine;diiminoazanium?
The IUPAC name of adamantan-1-amine;diiminoazanium (CID 175053883) is adamantan-1-amine;diiminoazanium.
What is the SMILES notation for adamantan-1-amine;diiminoazanium?
The canonical SMILES for adamantan-1-amine;diiminoazanium is N=[N+]=N.NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of adamantan-1-amine;diiminoazanium?
The InChIKey is KYAWEUOWWATBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.H2N3/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-3-2/h7-9H,1-6,11H2;1-2H/q;+1.
What are the key properties of adamantan-1-amine;diiminoazanium?
adamantan-1-amine;diiminoazanium has a molecular weight of 195.29 g/mol, XLogP of 2.03, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for adamantan-1-amine;diiminoazanium is sourced from PubChem (CID 175053883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).