N-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]amino]-N-methylethanamine

C11H16N2 — CID 142524312

IUPACN-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]amino]-N-methylethanamine
SMILESC/C=C1/C=CC=C/C1=N/N(C)CC
InChIInChI=1S/C11H16N2/c1-4-10-8-6-7-9-11(10)12-13(3)5-2/h4,6-9H,5H2,1-3H3/b10-4-,12-11-
InChIKeyPGHFEHFORBMROZ-LSHQYWQOSA-N
MW176.26 g/mol
LogP2.37
Rot. Bonds2

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

N-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]amino]-N-methylethanamine (PubChem CID 142524312) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]amino]-N-methylethanamine.

Molecular Properties

Compound NameN-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]amino]-N-methylethanamine
PubChem CID142524312
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]amino]-N-methylethanamine
SMILESC/C=C1/C=CC=C/C1=N/N(C)CC
InChIInChI=1S/C11H16N2/c1-4-10-8-6-7-9-11(10)12-13(3)5-2/h4,6-9H,5H2,1-3H3/b10-4-,12-11-
InChIKeyPGHFEHFORBMROZ-LSHQYWQOSA-N
XLogP2.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
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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Related Compounds

Mesityl oxide diethylhydrazone
CID 129782661
2-Ethyl-3-lithioindazole
CID 129784904
N-[(Z)-(3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]-N-methylmethanamine
CID 172304025
2,5-Dimethyl-3,3a-dihydroindazole
CID 57584886
N-[[6-(dimethylhydrazinylidene)cyclohexa-2,4-dien-1-ylidene]amino]-N-methylmethanamine
CID 89455981
N-methyl-N-[(E)-[(E)-3-methylpent-3-en-2-ylidene]amino]methanamine
CID 90141646
2-Methyl-2-(2-methylpropyl)indazol-2-ium
CID 91165767
2,4-Dimethyl-3,7-dihydroindazole
CID 118133040
N-methyl-N-(3-methylnona-3,5-dien-2-ylideneamino)propan-2-amine
CID 123449552
N-methyl-N-(3-methylidenehex-4-en-2-ylideneamino)ethanamine
CID 123591443
6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline
CID 123729667
N-(but-3-en-2-ylideneamino)-N-methylcyclohexa-2,4-dien-1-amine
CID 123792832

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]amino]-N-methylethanamine?
The IUPAC name of N-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]amino]-N-methylethanamine (CID 142524312) is N-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]amino]-N-methylethanamine.
What is the SMILES notation for N-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]amino]-N-methylethanamine?
The canonical SMILES for N-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]amino]-N-methylethanamine is C/C=C1/C=CC=C/C1=N/N(C)CC.
What is the InChIKey of N-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]amino]-N-methylethanamine?
The InChIKey is PGHFEHFORBMROZ-LSHQYWQOSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-10-8-6-7-9-11(10)12-13(3)5-2/h4,6-9H,5H2,1-3H3/b10-4-,12-11-.
What are the key properties of N-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]amino]-N-methylethanamine?
N-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]amino]-N-methylethanamine has a molecular weight of 176.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]amino]-N-methylethanamine is sourced from PubChem (CID 142524312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).