3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine

C18H26N2O — CID 102725956

IUPAC3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine
SMILESNC1c2ccccc2OCC1N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C18H26N2O/c19-18-14-8-2-4-10-17(14)21-12-16(18)20-11-5-7-13-6-1-3-9-15(13)20/h2,4,8,10,13,15-16,18H,1,3,5-7,9,11-12,19H2/t13-,15-,16?,18?/m1/s1
InChIKeyLMJFKOMNOIRCNQ-GRFMFAJESA-N
MW286.42 g/mol
LogP3.10
Rot. Bonds1

About 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine

3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 102725956) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID102725956
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine
SMILESNC1c2ccccc2OCC1N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C18H26N2O/c19-18-14-8-2-4-10-17(14)21-12-16(18)20-11-5-7-13-6-1-3-9-15(13)20/h2,4,8,10,13,15-16,18H,1,3,5-7,9,11-12,19H2/t13-,15-,16?,18?/m1/s1
InChIKeyLMJFKOMNOIRCNQ-GRFMFAJESA-N
XLogP3.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine with MolForge

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Launch Full Analysis

Related Compounds

3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 65320847
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43620329
3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 79189276
3-(4-methylsulfonylpiperazin-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 62993781
3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103532291
3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 60725605
3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63160368
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 65320050
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-3-amine
CID 79230283
3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188018
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclooctan-1-ol
CID 65319710

Frequently Asked Questions

What is the IUPAC name of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine (CID 102725956) is 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine is NC1c2ccccc2OCC1N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is LMJFKOMNOIRCNQ-GRFMFAJESA-N. The full InChI is InChI=1S/C18H26N2O/c19-18-14-8-2-4-10-17(14)21-12-16(18)20-11-5-7-13-6-1-3-9-15(13)20/h2,4,8,10,13,15-16,18H,1,3,5-7,9,11-12,19H2/t13-,15-,16?,18?/m1/s1.
What are the key properties of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine?
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 286.42 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 102725956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).