4-(4a,5,8,8a-tetrahydroquinolin-8-yloxy)-5-methylcyclohexa-1,5-dien-1-amine

C16H20N2O — CID 163915315

IUPAC4-(4a,5,8,8a-tetrahydroquinolin-8-yloxy)-5-methylcyclohexa-1,5-dien-1-amine
SMILESCC1=CC(N)=CCC1OC1C=CCC2C=CC=NC21
InChIInChI=1S/C16H20N2O/c1-11-10-13(17)7-8-14(11)19-15-6-2-4-12-5-3-9-18-16(12)15/h2-3,5-7,9-10,12,14-16H,4,8,17H2,1H3
InChIKeyQVSQQTPIBIDHSK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.52
Rot. Bonds2

About 4-(4a,5,8,8a-tetrahydroquinolin-8-yloxy)-5-methylcyclohexa-1,5-dien-1-amine

4-(4a,5,8,8a-tetrahydroquinolin-8-yloxy)-5-methylcyclohexa-1,5-dien-1-amine (PubChem CID 163915315) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(4a,5,8,8a-tetrahydroquinolin-8-yloxy)-5-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-(4a,5,8,8a-tetrahydroquinolin-8-yloxy)-5-methylcyclohexa-1,5-dien-1-amine
PubChem CID163915315
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-(4a,5,8,8a-tetrahydroquinolin-8-yloxy)-5-methylcyclohexa-1,5-dien-1-amine
SMILESCC1=CC(N)=CCC1OC1C=CCC2C=CC=NC21
InChIInChI=1S/C16H20N2O/c1-11-10-13(17)7-8-14(11)19-15-6-2-4-12-5-3-9-18-16(12)15/h2-3,5-7,9-10,12,14-16H,4,8,17H2,1H3
InChIKeyQVSQQTPIBIDHSK-UHFFFAOYSA-N
XLogP2.52
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4a,5,8,8a-tetrahydroquinolin-8-yloxy)-5-methylcyclohexa-1,5-dien-1-amine with MolForge

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Related Compounds

5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine
CID 89073888
trans-ethyl (1S,2S)-2-(3-methoxy-2,3-dihydropyridin-2-yl)cyclopropane-1-carboxylate
CID 71274319
3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
CID 91307094
methyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate
CID 142999071
4a,5,9,9a-tetrahydropyrido[2,3-b]azepin-8-one
CID 69358820
6-methyl-8,8a-dihydroquinoline
CID 89337032
(3Z,5Z)-5-amino-8-methylcycloocta-3,5-dien-1-ol
CID 174024874
2-(5-methylthiophen-3-yl)-2,3-dihydropyridine
CID 143245934
5-ethyl-4-methylcyclohexa-1,5-dien-1-amine
CID 163507973
4a,5-dihydroisoquinolin-7-amine
CID 148591095
6-methyl-8,8a-dihydrophosphinino[2,3-b]pyridine
CID 123360660
ethyl (1R)-cyclohexa-2,4-diene-1-carboxylate
CID 142951121

Frequently Asked Questions

What is the IUPAC name of 4-(4a,5,8,8a-tetrahydroquinolin-8-yloxy)-5-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-(4a,5,8,8a-tetrahydroquinolin-8-yloxy)-5-methylcyclohexa-1,5-dien-1-amine (CID 163915315) is 4-(4a,5,8,8a-tetrahydroquinolin-8-yloxy)-5-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-(4a,5,8,8a-tetrahydroquinolin-8-yloxy)-5-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-(4a,5,8,8a-tetrahydroquinolin-8-yloxy)-5-methylcyclohexa-1,5-dien-1-amine is CC1=CC(N)=CCC1OC1C=CCC2C=CC=NC21.
What is the InChIKey of 4-(4a,5,8,8a-tetrahydroquinolin-8-yloxy)-5-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is QVSQQTPIBIDHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-10-13(17)7-8-14(11)19-15-6-2-4-12-5-3-9-18-16(12)15/h2-3,5-7,9-10,12,14-16H,4,8,17H2,1H3.
What are the key properties of 4-(4a,5,8,8a-tetrahydroquinolin-8-yloxy)-5-methylcyclohexa-1,5-dien-1-amine?
4-(4a,5,8,8a-tetrahydroquinolin-8-yloxy)-5-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4a,5,8,8a-tetrahydroquinolin-8-yloxy)-5-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 163915315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).