(1S,2S)-2-methoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine

C26H34N2O2 — CID 129049950

IUPAC(1S,2S)-2-methoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCO[C@H]1Cc2ccccc2[C@@H]1NCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1
InChIInChI=1S/C26H34N2O2/c1-29-22-18-20-8-2-3-9-21(20)24(22)28-16-13-25(23-10-4-7-15-27-23)14-17-30-26(19-25)11-5-6-12-26/h2-4,7-10,15,22,24,28H,5-6,11-14,16-19H2,1H3/t22-,24-,25+/m0/s1
InChIKeyHPESSUIKVPPELT-ZKMPZPQNSA-N
MW406.57 g/mol
LogP4.73
Rot. Bonds6

About (1S,2S)-2-methoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine

(1S,2S)-2-methoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 129049950) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is (1S,2S)-2-methoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,2S)-2-methoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID129049950
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name(1S,2S)-2-methoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCO[C@H]1Cc2ccccc2[C@@H]1NCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1
InChIInChI=1S/C26H34N2O2/c1-29-22-18-20-8-2-3-9-21(20)24(22)28-16-13-25(23-10-4-7-15-27-23)14-17-30-26(19-25)11-5-6-12-26/h2-4,7-10,15,22,24,28H,5-6,11-14,16-19H2,1H3/t22-,24-,25+/m0/s1
InChIKeyHPESSUIKVPPELT-ZKMPZPQNSA-N
XLogP4.73
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,2S)-2-methoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(9R)-9-[3-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
CID 147444209
2-[(9R)-9-[5-[(2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
CID 129049963
(1R)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 129049930
12,12-dimethyl-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-amine
CID 154646361
2-(methoxymethyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,3-dihydroinden-2-amine
CID 163995946
N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-amine
CID 154646339
1-pentan-3-yl-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3,7,8,9,9a-hexahydrobenzo[de]quinolin-7-amine
CID 155006041
(1S,4S)-4-(2-fluoroethoxy)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 129049965
2-[(4S)-4-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]acetonitrile
CID 135259588
2-[(9R)-9-(3-methylbutyl)-6-oxaspiro[4.5]decan-9-yl]pyridine
CID 140910140
ethane;2-[(9R)-9-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
CID 159957103
N-[2-(9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 155054118

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-methoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,2S)-2-methoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine (CID 129049950) is (1S,2S)-2-methoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,2S)-2-methoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,2S)-2-methoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine is CO[C@H]1Cc2ccccc2[C@@H]1NCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1.
What is the InChIKey of (1S,2S)-2-methoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HPESSUIKVPPELT-ZKMPZPQNSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-29-22-18-20-8-2-3-9-21(20)24(22)28-16-13-25(23-10-4-7-15-27-23)14-17-30-26(19-25)11-5-6-12-26/h2-4,7-10,15,22,24,28H,5-6,11-14,16-19H2,1H3/t22-,24-,25+/m0/s1.
What are the key properties of (1S,2S)-2-methoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine?
(1S,2S)-2-methoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 406.57 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-methoxy-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 129049950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).