N-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine

C15H18N2 — CID 57095023

IUPACN-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine
SMILESCC/N=C1\C=CN2C=CC3=CC=CCC3C2C1
InChIInChI=1S/C15H18N2/c1-2-16-13-8-10-17-9-7-12-5-3-4-6-14(12)15(17)11-13/h3-5,7-10,14-15H,2,6,11H2,1H3/b16-13+
InChIKeyOUXNFEWQAGLXKW-DTQAZKPQSA-N
MW226.32 g/mol
LogP3.07
Rot. Bonds1

About N-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine

N-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine (PubChem CID 57095023) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine.

Molecular Properties

Compound NameN-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine
PubChem CID57095023
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine
SMILESCC/N=C1\C=CN2C=CC3=CC=CCC3C2C1
InChIInChI=1S/C15H18N2/c1-2-16-13-8-10-17-9-7-12-5-3-4-6-14(12)15(17)11-13/h3-5,7-10,14-15H,2,6,11H2,1H3/b16-13+
InChIKeyOUXNFEWQAGLXKW-DTQAZKPQSA-N
XLogP3.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine
CID 143345320
methylcyclohexane;7-methyl-4H-quinolin-4-ide;yttrium
CID 57831671
7-Methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline
CID 70832201
6,6-Diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium
CID 90882917
3-methyl-3,8,8a,9-tetrahydro-2H-isoindolo[1,2-a]isoquinolin-7-ium
CID 90887786
N-ethyl-N-methyl-3-[4-(1,7,12-trimethyl-3,4,6,7,10,11-hexahydrocyclodeca[c]pyridin-3-yl)cyclohexa-1,5-dien-1-yl]propan-1-amine
CID 123440338
N-[(Z)-2-methylbut-1-enyl]-1-(2-pent-2-enyl-2,3-dihydronaphthalen-1-yl)propan-1-imine
CID 132192244
4-Methyl-1-propan-2-yl-4,4a-dihydroquinolin-1-ium
CID 132201241
ethane;3-methyl-4-methylidene-4aH-quinoline
CID 143168273
7,8-Dimethyl-4,4a-dihydroquinoline
CID 144266744
Ethane;2-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-4a,8a-dihydroisoquinolin-2-ium
CID 145473354
N,N,2,3-tetramethyl-4,4a,5,6-tetrahydroquinolin-7-amine
CID 146555145

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine?
The IUPAC name of N-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine (CID 57095023) is N-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine.
What is the SMILES notation for N-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine?
The canonical SMILES for N-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine is CC/N=C1\C=CN2C=CC3=CC=CCC3C2C1.
What is the InChIKey of N-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine?
The InChIKey is OUXNFEWQAGLXKW-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-16-13-8-10-17-9-7-12-5-3-4-6-14(12)15(17)11-13/h3-5,7-10,14-15H,2,6,11H2,1H3/b16-13+.
What are the key properties of N-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine?
N-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine has a molecular weight of 226.32 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine is sourced from PubChem (CID 57095023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).