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

C8H13N3 — CID 143377539

IUPACN-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine
SMILESCC1C=CC=C/C1=N/N(C)N
InChIInChI=1S/C8H13N3/c1-7-5-3-4-6-8(7)10-11(2)9/h3-7H,9H2,1-2H3/b10-8-
InChIKeyMPVRINSGCZVVET-NTMALXAHSA-N
MW151.21 g/mol
LogP0.91
Rot. Bonds1

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

N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine (PubChem CID 143377539) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine.

Molecular Properties

Compound NameN-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine
PubChem CID143377539
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine
SMILESCC1C=CC=C/C1=N/N(C)N
InChIInChI=1S/C8H13N3/c1-7-5-3-4-6-8(7)10-11(2)9/h3-7H,9H2,1-2H3/b10-8-
InChIKeyMPVRINSGCZVVET-NTMALXAHSA-N
XLogP0.91
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.91
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

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)-[(4Z)-2,6-dimethylhepta-4,6-dien-3-ylidene]hydrazine
CID 89098775
N-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 89267454
N-iodo-N-[(Z)-[(6E)-6-(2-methylbutylidene)cyclohexa-2,4-dien-1-ylidene]amino]methanamine
CID 126546776
(Z)-6-methyl-N-(methylideneamino)cyclohexa-2,4-dien-1-imine
CID 130347238
(Z)-(6-ethenylcyclohexa-2,4-dien-1-ylidene)hydrazine
CID 130347241
(E)-[(2Z,6Z)-5-methylnona-2,6,8-trien-4-ylidene]hydrazine
CID 132199564
N-amino-N-[(E)-cyclohexa-2,4-dien-1-ylmethylideneamino]methanamine
CID 138617972
N-[(E)-1-(4-methylcyclohexa-1,5-dien-1-yl)propylideneamino]methanamine
CID 142535058
N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine;ethane
CID 143377538
(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]hydrazine
CID 144460570

Frequently Asked Questions

What is the IUPAC name of N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The IUPAC name of N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine (CID 143377539) is N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine.
What is the SMILES notation for N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The canonical SMILES for N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine is CC1C=CC=C/C1=N/N(C)N.
What is the InChIKey of N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The InChIKey is MPVRINSGCZVVET-NTMALXAHSA-N. The full InChI is InChI=1S/C8H13N3/c1-7-5-3-4-6-8(7)10-11(2)9/h3-7H,9H2,1-2H3/b10-8-.
What are the key properties of N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine?
N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine has a molecular weight of 151.21 g/mol, XLogP of 0.91, 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-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine is sourced from PubChem (CID 143377539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).