2,3,5,6,7,7a,8,9-octahydro-1H-imidazo[2,1-j]quinoline

C11H18N2 — CID 166611130

IUPAC2,3,5,6,7,7a,8,9-octahydro-1H-imidazo[2,1-j]quinoline
SMILESC1=CC23NCCN2CCCC3CC1
InChIInChI=1S/C11H18N2/c1-2-6-11-10(4-1)5-3-8-13(11)9-7-12-11/h2,6,10,12H,1,3-5,7-9H2
InChIKeyULMZONALLAOWHK-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.35
Rot. Bonds

About 2,3,5,6,7,7a,8,9-octahydro-1H-imidazo[2,1-j]quinoline

2,3,5,6,7,7a,8,9-octahydro-1H-imidazo[2,1-j]quinoline (PubChem CID 166611130) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,3,5,6,7,7a,8,9-octahydro-1H-imidazo[2,1-j]quinoline.

Molecular Properties

Compound Name2,3,5,6,7,7a,8,9-octahydro-1H-imidazo[2,1-j]quinoline
PubChem CID166611130
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2,3,5,6,7,7a,8,9-octahydro-1H-imidazo[2,1-j]quinoline
SMILESC1=CC23NCCN2CCCC3CC1
InChIInChI=1S/C11H18N2/c1-2-6-11-10(4-1)5-3-8-13(11)9-7-12-11/h2,6,10,12H,1,3-5,7-9H2
InChIKeyULMZONALLAOWHK-UHFFFAOYSA-N
XLogP1.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,5,6,7,7a,8,9-octahydro-1H-imidazo[2,1-j]quinoline with MolForge

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Launch Full Analysis

Related Compounds

2-Fluoro-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 118448242
(6S)-2-fluoro-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 139453699
2-(5-Bromocyclohex-2-en-1-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 89592187
7-cyclohept-3-en-1-yl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-b]pyridin-2-amine
CID 141881231
(3aS,7aS)-6-(2-cyclohexa-2,4-dien-1-ylethyl)-2,3,3a,4,5,7-hexahydro-1H-pyrrolo[2,3-c]pyridin-7a-amine
CID 148868837
6-(Cyclohexen-1-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 175288420
3-[(3R)-3-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569151
5-methyl-3-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569225
5-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569251
1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine
CID 176569291
1-(1,2,3,6-Tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine
CID 176569355
N-[5-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-3-yl]methanimine
CID 176569655

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,7a,8,9-octahydro-1H-imidazo[2,1-j]quinoline?
The IUPAC name of 2,3,5,6,7,7a,8,9-octahydro-1H-imidazo[2,1-j]quinoline (CID 166611130) is 2,3,5,6,7,7a,8,9-octahydro-1H-imidazo[2,1-j]quinoline.
What is the SMILES notation for 2,3,5,6,7,7a,8,9-octahydro-1H-imidazo[2,1-j]quinoline?
The canonical SMILES for 2,3,5,6,7,7a,8,9-octahydro-1H-imidazo[2,1-j]quinoline is C1=CC23NCCN2CCCC3CC1.
What is the InChIKey of 2,3,5,6,7,7a,8,9-octahydro-1H-imidazo[2,1-j]quinoline?
The InChIKey is ULMZONALLAOWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-6-11-10(4-1)5-3-8-13(11)9-7-12-11/h2,6,10,12H,1,3-5,7-9H2.
What are the key properties of 2,3,5,6,7,7a,8,9-octahydro-1H-imidazo[2,1-j]quinoline?
2,3,5,6,7,7a,8,9-octahydro-1H-imidazo[2,1-j]quinoline has a molecular weight of 178.28 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,7a,8,9-octahydro-1H-imidazo[2,1-j]quinoline is sourced from PubChem (CID 166611130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).