1,2,3,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulen-4-ylidene(imino)azanium

C11H19N2+ — CID 67945671

IUPAC1,2,3,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulen-4-ylidene(imino)azanium
SMILESN=[N+]=C1CCCC2CCCCCC12
InChIInChI=1S/C11H19N2/c12-13-11-8-4-6-9-5-2-1-3-7-10(9)11/h9-10,12H,1-8H2/q+1
InChIKeyUOWDKLOBDGMEEC-UHFFFAOYSA-N
MW179.29 g/mol
LogP3.05
Rot. Bonds

About 1,2,3,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulen-4-ylidene(imino)azanium

1,2,3,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulen-4-ylidene(imino)azanium (PubChem CID 67945671) has the molecular formula C11H19N2+ and a molecular weight of 179.29 g/mol. Its IUPAC name is 1,2,3,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulen-4-ylidene(imino)azanium.

Molecular Properties

Compound Name1,2,3,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulen-4-ylidene(imino)azanium
PubChem CID67945671
Molecular FormulaC11H19N2+
Molecular Weight179.29 g/mol
Exact Mass179.15
IUPAC Name1,2,3,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulen-4-ylidene(imino)azanium
SMILESN=[N+]=C1CCCC2CCCCCC12
InChIInChI=1S/C11H19N2/c12-13-11-8-4-6-9-5-2-1-3-7-10(9)11/h9-10,12H,1-8H2/q+1
InChIKeyUOWDKLOBDGMEEC-UHFFFAOYSA-N
XLogP3.05
TPSA37.95 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1,2,3,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulen-4-ylidene(imino)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Menthone hydrazone
CID 93506663
5-diazo-2,3,4,4a,6,7,8,9-octahydro-1H-benzo[7]annulen-9a-ylium chloride
CID 19861216
5-diazo-2,3,4,4a,6,7,8,9-octahydro-1H-benzo[7]annulen-9a-ylium
CID 19861217
4-Diazo-1,2,3,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulene
CID 87189760
(2R,5S)-2-isopropyl-5-methyl-cyclohexanone hydrazone
CID 93506664
5-Diazo-1,2,3,4,4a,6,7,8,9,9a-decahydrobenzo[7]annulene
CID 154029645
2-Hydrazinylidene-4-propan-2-ylcyclohexan-1-imine
CID 173991475
(E)-(5-methyl-2-propan-2-ylcyclohexylidene)hydrazine
CID 13239032
(Z)-(5-methyl-2-propan-2-ylcyclohexylidene)hydrazine
CID 45096390
(Z)-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]hydrazine
CID 100954857
(5-Methyl-2-propan-2-ylcyclohexylidene)hydrazine
CID 130709578
(E)-(3-methyl-4-propan-2-ylcyclohexylidene)hydrazine
CID 133621571

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulen-4-ylidene(imino)azanium?
The IUPAC name of 1,2,3,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulen-4-ylidene(imino)azanium (CID 67945671) is 1,2,3,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulen-4-ylidene(imino)azanium.
What is the SMILES notation for 1,2,3,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulen-4-ylidene(imino)azanium?
The canonical SMILES for 1,2,3,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulen-4-ylidene(imino)azanium is N=[N+]=C1CCCC2CCCCCC12.
What is the InChIKey of 1,2,3,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulen-4-ylidene(imino)azanium?
The InChIKey is UOWDKLOBDGMEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2/c12-13-11-8-4-6-9-5-2-1-3-7-10(9)11/h9-10,12H,1-8H2/q+1.
What are the key properties of 1,2,3,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulen-4-ylidene(imino)azanium?
1,2,3,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulen-4-ylidene(imino)azanium has a molecular weight of 179.29 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulen-4-ylidene(imino)azanium is sourced from PubChem (CID 67945671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).