N,N-diethyl-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine

C21H25N3 — CID 17243136

IUPACN,N-diethyl-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine
SMILESCCN(CC)c1ccc2c(c1)C1C=CCC1C(c1cccnc1)N2
InChIInChI=1S/C21H25N3/c1-3-24(4-2)16-10-11-20-19(13-16)17-8-5-9-18(17)21(23-20)15-7-6-12-22-14-15/h5-8,10-14,17-18,21,23H,3-4,9H2,1-2H3
InChIKeyGHESVDCHQFWHAM-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.75
Rot. Bonds4

About N,N-diethyl-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine

N,N-diethyl-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine (PubChem CID 17243136) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N,N-diethyl-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine.

Molecular Properties

Compound NameN,N-diethyl-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine
PubChem CID17243136
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC NameN,N-diethyl-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine
SMILESCCN(CC)c1ccc2c(c1)C1C=CCC1C(c1cccnc1)N2
InChIInChI=1S/C21H25N3/c1-3-24(4-2)16-10-11-20-19(13-16)17-8-5-9-18(17)21(23-20)15-7-6-12-22-14-15/h5-8,10-14,17-18,21,23H,3-4,9H2,1-2H3
InChIKeyGHESVDCHQFWHAM-UHFFFAOYSA-N
XLogP4.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N,N-diethyl-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine with MolForge

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Related Compounds

N,N-diethyl-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine
CID 17243923
4-(4-chlorophenyl)-N,N-diethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine
CID 17239339
(3aS,4S,9bR)-4-pyridin-3-yl-8-(trifluoromethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 1085368
N,N-dimethyl-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17243270
(3aR,4S,9bS)-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
CID 6541819
8-(2-phenoxyethoxy)-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17243221
N,N-diethyl-4-(2-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine
CID 17242822
5-[8-(diethylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-2-methoxyphenol
CID 17237706
1-[4-[4-(diethylamino)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone
CID 17238861
2,4-dichloro-6-[8-(diethylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]phenol
CID 17239625
(3aR,4S,9bR)-6,8-difluoro-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 6964787
N,N-diethyl-4-(8-heptoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)aniline
CID 17238956

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine?
The IUPAC name of N,N-diethyl-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine (CID 17243136) is N,N-diethyl-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine.
What is the SMILES notation for N,N-diethyl-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine?
The canonical SMILES for N,N-diethyl-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine is CCN(CC)c1ccc2c(c1)C1C=CCC1C(c1cccnc1)N2.
What is the InChIKey of N,N-diethyl-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine?
The InChIKey is GHESVDCHQFWHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-3-24(4-2)16-10-11-20-19(13-16)17-8-5-9-18(17)21(23-20)15-7-6-12-22-14-15/h5-8,10-14,17-18,21,23H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine?
N,N-diethyl-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine has a molecular weight of 319.45 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine is sourced from PubChem (CID 17243136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).