4a,5,8,8a-tetrahydro-3H-quinolin-4-imine

C9H12N2 — CID 91111457

IUPAC4a,5,8,8a-tetrahydro-3H-quinolin-4-imine
SMILES[H]/N=C1\CC=NC2CC=CCC12
InChIInChI=1S/C9H12N2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-2,6-7,9-10H,3-5H2/b10-8+
InChIKeyWJIKYVATWXGWAL-CSKARUKUSA-N
MW148.21 g/mol
LogP1.82
Rot. Bonds

About 4a,5,8,8a-tetrahydro-3H-quinolin-4-imine

4a,5,8,8a-tetrahydro-3H-quinolin-4-imine (PubChem CID 91111457) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4a,5,8,8a-tetrahydro-3H-quinolin-4-imine.

Molecular Properties

Compound Name4a,5,8,8a-tetrahydro-3H-quinolin-4-imine
PubChem CID91111457
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4a,5,8,8a-tetrahydro-3H-quinolin-4-imine
SMILES[H]/N=C1\CC=NC2CC=CCC12
InChIInChI=1S/C9H12N2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-2,6-7,9-10H,3-5H2/b10-8+
InChIKeyWJIKYVATWXGWAL-CSKARUKUSA-N
XLogP1.82
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-imino-3a,4,7,7a-tetrahydroinden-1-one
CID 134287895
bicyclo[3.1.0]hex-4-en-2-imine
CID 163938987
2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione
CID 4519986
(1aR,1bR,6aS)-1,1a,1b,2,5,6a-hexahydrocyclopropa[a]indene
CID 134860701
(2-iminocyclopropyl)methanamine
CID 160659278
2-imino-5H-pyrimidin-4-amine
CID 119083770
5,8-dimethylidene-1,4,4a,8a-tetrahydronaphthalene
CID 175168315
(3aS,7aS)-3a,4,7,7a-tetrahydroindene-1,3-dione
CID 92976092
4-chloro-7,7a-dihydro-3H-pyrrolo[3,2-c]pyridine
CID 90952849
2-iminocyclopentan-1-ol
CID 131743641
3a,4,7,7a-tetrahydro-1,3-benzoxazole
CID 173072353
4-ethyl-4,5-dihydroazepin-3-imine
CID 123614959

Frequently Asked Questions

What is the IUPAC name of 4a,5,8,8a-tetrahydro-3H-quinolin-4-imine?
The IUPAC name of 4a,5,8,8a-tetrahydro-3H-quinolin-4-imine (CID 91111457) is 4a,5,8,8a-tetrahydro-3H-quinolin-4-imine.
What is the SMILES notation for 4a,5,8,8a-tetrahydro-3H-quinolin-4-imine?
The canonical SMILES for 4a,5,8,8a-tetrahydro-3H-quinolin-4-imine is [H]/N=C1\CC=NC2CC=CCC12.
What is the InChIKey of 4a,5,8,8a-tetrahydro-3H-quinolin-4-imine?
The InChIKey is WJIKYVATWXGWAL-CSKARUKUSA-N. The full InChI is InChI=1S/C9H12N2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-2,6-7,9-10H,3-5H2/b10-8+.
What are the key properties of 4a,5,8,8a-tetrahydro-3H-quinolin-4-imine?
4a,5,8,8a-tetrahydro-3H-quinolin-4-imine has a molecular weight of 148.21 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,8,8a-tetrahydro-3H-quinolin-4-imine is sourced from PubChem (CID 91111457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).