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

C8H10N2 — CID 87171363

IUPACN-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
SMILESC=C1C=CC=C/C1=N/NC
InChIInChI=1S/C8H10N2/c1-7-5-3-4-6-8(7)10-9-2/h3-6,9H,1H2,2H3/b10-8-
InChIKeyKUJOKXGSSPMTMR-NTMALXAHSA-N
MW134.18 g/mol
LogP1.24
Rot. Bonds1

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

N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine (PubChem CID 87171363) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
PubChem CID87171363
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC NameN-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
SMILESC=C1C=CC=C/C1=N/NC
InChIInChI=1S/C8H10N2/c1-7-5-3-4-6-8(7)10-9-2/h3-6,9H,1H2,2H3/b10-8-
InChIKeyKUJOKXGSSPMTMR-NTMALXAHSA-N
XLogP1.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The IUPAC name of N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine (CID 87171363) is N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine.
What is the SMILES notation for N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The canonical SMILES for N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine is C=C1C=CC=C/C1=N/NC.
What is the InChIKey of N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The InChIKey is KUJOKXGSSPMTMR-NTMALXAHSA-N. The full InChI is InChI=1S/C8H10N2/c1-7-5-3-4-6-8(7)10-9-2/h3-6,9H,1H2,2H3/b10-8-.
What are the key properties of N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine has a molecular weight of 134.18 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine is sourced from PubChem (CID 87171363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).