N-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine

C8H11N3 — CID 89267454

IUPACN-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
SMILESC=C1C=CC=C/C1=N/N(C)N
InChIInChI=1S/C8H11N3/c1-7-5-3-4-6-8(7)10-11(2)9/h3-6H,1,9H2,2H3/b10-8-
InChIKeyXFWCOFWDDKTFIE-NTMALXAHSA-N
MW149.20 g/mol
LogP0.83
Rot. Bonds1

About N-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine

N-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine (PubChem CID 89267454) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine.

Molecular Properties

Compound NameN-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
PubChem CID89267454
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
SMILESC=C1C=CC=C/C1=N/N(C)N
InChIInChI=1S/C8H11N3/c1-7-5-3-4-6-8(7)10-11(2)9/h3-6H,1,9H2,2H3/b10-8-
InChIKeyXFWCOFWDDKTFIE-NTMALXAHSA-N
XLogP0.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The IUPAC name of N-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine (CID 89267454) is N-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine.
What is the SMILES notation for N-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The canonical SMILES for N-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine is C=C1C=CC=C/C1=N/N(C)N.
What is the InChIKey of N-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The InChIKey is XFWCOFWDDKTFIE-NTMALXAHSA-N. The full InChI is InChI=1S/C8H11N3/c1-7-5-3-4-6-8(7)10-11(2)9/h3-6H,1,9H2,2H3/b10-8-.
What are the key properties of N-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
N-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine has a molecular weight of 149.20 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine is sourced from PubChem (CID 89267454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).