N-[(Z)-(8-iminocycloocta-2,4,6-trien-1-ylidene)amino]methanamine

C9H11N3 — CID 130286086

IUPACN-[(Z)-(8-iminocycloocta-2,4,6-trien-1-ylidene)amino]methanamine
SMILES[H]/N=c1\cccccc\c1=N\NC
InChIInChI=1S/C9H11N3/c1-11-12-9-7-5-3-2-4-6-8(9)10/h2-7,10-11H,1H3/b3-2-,6-4-,7-5-,10-8+,12-9-
InChIKeyILTZHXOAAPYPOT-NJPDQATRSA-N
MW161.21 g/mol
LogP0.20
Rot. Bonds1

About N-[(Z)-(8-iminocycloocta-2,4,6-trien-1-ylidene)amino]methanamine

N-[(Z)-(8-iminocycloocta-2,4,6-trien-1-ylidene)amino]methanamine (PubChem CID 130286086) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is N-[(Z)-(8-iminocycloocta-2,4,6-trien-1-ylidene)amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-(8-iminocycloocta-2,4,6-trien-1-ylidene)amino]methanamine
PubChem CID130286086
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC NameN-[(Z)-(8-iminocycloocta-2,4,6-trien-1-ylidene)amino]methanamine
SMILES[H]/N=c1\cccccc\c1=N\NC
InChIInChI=1S/C9H11N3/c1-11-12-9-7-5-3-2-4-6-8(9)10/h2-7,10-11H,1H3/b3-2-,6-4-,7-5-,10-8+,12-9-
InChIKeyILTZHXOAAPYPOT-NJPDQATRSA-N
XLogP0.20
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(8-iminocycloocta-2,4,6-trien-1-ylidene)amino]methanamine?
The IUPAC name of N-[(Z)-(8-iminocycloocta-2,4,6-trien-1-ylidene)amino]methanamine (CID 130286086) is N-[(Z)-(8-iminocycloocta-2,4,6-trien-1-ylidene)amino]methanamine.
What is the SMILES notation for N-[(Z)-(8-iminocycloocta-2,4,6-trien-1-ylidene)amino]methanamine?
The canonical SMILES for N-[(Z)-(8-iminocycloocta-2,4,6-trien-1-ylidene)amino]methanamine is [H]/N=c1\cccccc\c1=N\NC.
What is the InChIKey of N-[(Z)-(8-iminocycloocta-2,4,6-trien-1-ylidene)amino]methanamine?
The InChIKey is ILTZHXOAAPYPOT-NJPDQATRSA-N. The full InChI is InChI=1S/C9H11N3/c1-11-12-9-7-5-3-2-4-6-8(9)10/h2-7,10-11H,1H3/b3-2-,6-4-,7-5-,10-8+,12-9-.
What are the key properties of N-[(Z)-(8-iminocycloocta-2,4,6-trien-1-ylidene)amino]methanamine?
N-[(Z)-(8-iminocycloocta-2,4,6-trien-1-ylidene)amino]methanamine has a molecular weight of 161.21 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(8-iminocycloocta-2,4,6-trien-1-ylidene)amino]methanamine is sourced from PubChem (CID 130286086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).