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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Related Compounds

1,2-Benzodiazepin-2-amine
CID 20088072
(4-Methylcyclohexa-2,4-dien-1-ylidene)hydrazine;hydrochloride
CID 68455347
(2-Prop-2-enylcyclohexa-2,4-dien-1-ylidene)hydrazine
CID 70522915
N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 87171363
N-amino-N-[(Z)-(6-iodo-3,4-dimethylcyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 88266372
(Z)-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]hydrazine
CID 89595444
[(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]amino]azanide
CID 91028970
N-amino-N-[(Z)-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]prop-2-en-1-amine
CID 122662804
N-iodo-N-[(Z)-[(6E)-6-(2-methylbutylidene)cyclohexa-2,4-dien-1-ylidene]amino]methanamine
CID 126546776
N-[(Z)-(3,4,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 129138365
N-[(Z)-[(3Z)-4-ethylhexa-3,5-dien-2-ylidene]amino]methanamine
CID 138702833
(E)-(2,3-dimethylcyclohexa-2,4-dien-1-ylidene)hydrazine
CID 141384062

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).