1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl-methylazanium

C9H13N2+ — CID 147553850

IUPAC1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl-methylazanium
SMILES[H]/N=C1\C=CC=CC1=C(C)[NH2+]C
InChIInChI=1S/C9H12N2/c1-7(11-2)8-5-3-4-6-9(8)10/h3-6,10-11H,1-2H3/p+1/b8-7?,10-9+
InChIKeyFRHKMUFEIINJMX-IPBYNONMSA-O
MW149.22 g/mol
LogP0.60
Rot. Bonds1

About 1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl-methylazanium

1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl-methylazanium (PubChem CID 147553850) has the molecular formula C9H13N2+ and a molecular weight of 149.22 g/mol. Its IUPAC name is 1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl-methylazanium.

Molecular Properties

Compound Name1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl-methylazanium
PubChem CID147553850
Molecular FormulaC9H13N2+
Molecular Weight149.22 g/mol
Exact Mass149.11
IUPAC Name1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl-methylazanium
SMILES[H]/N=C1\C=CC=CC1=C(C)[NH2+]C
InChIInChI=1S/C9H12N2/c1-7(11-2)8-5-3-4-6-9(8)10/h3-6,10-11H,1-2H3/p+1/b8-7?,10-9+
InChIKeyFRHKMUFEIINJMX-IPBYNONMSA-O
XLogP0.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-diazo-N-ethyl-6-methylcyclohexa-1,5-dien-1-amine
CID 21288837
4-diazo-N-ethyl-2-methylcyclohexa-1,5-dien-1-amine
CID 23341042
N,4-dimethyl-10-methyliminoundeca-2,4,6,8-tetraen-2-amine
CID 53962751
N-[(3-diazocyclohexa-1,5-dien-1-yl)methyl]propan-1-amine
CID 54216626
N-[(4-diazocyclohexa-1,5-dien-1-yl)methyl]propan-1-amine
CID 54402766
N,4-dimethyl-6-methyliminohepta-2,4-dien-2-amine
CID 59886162
Methyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium
CID 59957987
N,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine
CID 67679348
(Z)-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]but-2-en-2-amine
CID 68086216
1-[(6-Methylidenecyclohexa-2,4-dien-1-ylidene)amino]ethanamine
CID 68342709
(2E,4Z)-5-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hepta-2,4-dien-4-amine
CID 88224971
4-diazo-N-ethylcyclohexa-1,5-dien-1-amine
CID 88309924

Frequently Asked Questions

What is the IUPAC name of 1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl-methylazanium?
The IUPAC name of 1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl-methylazanium (CID 147553850) is 1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl-methylazanium.
What is the SMILES notation for 1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl-methylazanium?
The canonical SMILES for 1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl-methylazanium is [H]/N=C1\C=CC=CC1=C(C)[NH2+]C.
What is the InChIKey of 1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl-methylazanium?
The InChIKey is FRHKMUFEIINJMX-IPBYNONMSA-O. The full InChI is InChI=1S/C9H12N2/c1-7(11-2)8-5-3-4-6-9(8)10/h3-6,10-11H,1-2H3/p+1/b8-7?,10-9+.
What are the key properties of 1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl-methylazanium?
1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl-methylazanium has a molecular weight of 149.22 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl-methylazanium is sourced from PubChem (CID 147553850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).