(1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol

C19H28N2O2 — CID 70716941

IUPAC(1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESNCCO[C@H]1C[C@@H](O)C12CCN(C1Cc3ccccc3C1)CC2
InChIInChI=1S/C19H28N2O2/c20-7-10-23-18-13-17(22)19(18)5-8-21(9-6-19)16-11-14-3-1-2-4-15(14)12-16/h1-4,16-18,22H,5-13,20H2/t17-,18+/m1/s1
InChIKeyGLIQDIUQYZKMQW-MSOLQXFVSA-N
MW316.44 g/mol
LogP1.34
Rot. Bonds4

About (1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol

(1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol (PubChem CID 70716941) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol
PubChem CID70716941
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESNCCO[C@H]1C[C@@H](O)C12CCN(C1Cc3ccccc3C1)CC2
InChIInChI=1S/C19H28N2O2/c20-7-10-23-18-13-17(22)19(18)5-8-21(9-6-19)16-11-14-3-1-2-4-15(14)12-16/h1-4,16-18,22H,5-13,20H2/t17-,18+/m1/s1
InChIKeyGLIQDIUQYZKMQW-MSOLQXFVSA-N
XLogP1.34
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R*,3S*)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 72884205
(1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 70740408
N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 91649471
N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 55014090
1-(2,3-dihydro-1H-inden-1-ylamino)-3-morpholin-4-ylpropan-2-ol
CID 60703871
(1R,3S)-3-(2-aminoethoxy)-7-(2,2-diphenylethyl)-7-azaspiro[3.5]nonan-1-ol
CID 70734220
3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol
CID 77900447
4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol
CID 81130670
N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 86800410
(1S,3R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 97819163
(1R,3R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 97819165
(1S,3R)-N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 99718077

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol (CID 70716941) is (1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol is NCCO[C@H]1C[C@@H](O)C12CCN(C1Cc3ccccc3C1)CC2.
What is the InChIKey of (1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is GLIQDIUQYZKMQW-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H28N2O2/c20-7-10-23-18-13-17(22)19(18)5-8-21(9-6-19)16-11-14-3-1-2-4-15(14)12-16/h1-4,16-18,22H,5-13,20H2/t17-,18+/m1/s1.
What are the key properties of (1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 316.44 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 70716941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).