(1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

C20H28N2O3 — CID 129378989

IUPAC(1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESc1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc(O[C@H]2CCOC2)n1
InChIInChI=1S/C20H28N2O3/c1-2-7-20(6-1)18(16-5-10-24-19(16)20)22-12-14-3-8-21-17(11-14)25-15-4-9-23-13-15/h3,8,11,15-16,18-19,22H,1-2,4-7,9-10,12-13H2/t15-,16-,18+,19-/m0/s1
InChIKeyMJJHHRVEIZDTTJ-DKKFBQAASA-N
MW344.46 g/mol
LogP2.69
Rot. Bonds5

About (1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

(1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (PubChem CID 129378989) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is (1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.

Molecular Properties

Compound Name(1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
PubChem CID129378989
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name(1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESc1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc(O[C@H]2CCOC2)n1
InChIInChI=1S/C20H28N2O3/c1-2-7-20(6-1)18(16-5-10-24-19(16)20)22-12-14-3-8-21-17(11-14)25-15-4-9-23-13-15/h3,8,11,15-16,18-19,22H,1-2,4-7,9-10,12-13H2/t15-,16-,18+,19-/m0/s1
InChIKeyMJJHHRVEIZDTTJ-DKKFBQAASA-N
XLogP2.69
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine
CID 63558300
(3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine
CID 97108645
2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]propan-1-amine
CID 55212360
[2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]methyl]phenyl]methanol
CID 129424183
N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine
CID 86786908
1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea
CID 97330579
3-(2-methylphenyl)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]cyclobutan-1-amine
CID 99621949
3,5-difluoro-4-[[2-(oxolan-3-yloxy)-4-pyridinyl]methylamino]benzonitrile
CID 133415731
2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462232
6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine
CID 133415596
4-bromo-2-nitro-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]aniline
CID 133415640
N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 119033601

Frequently Asked Questions

What is the IUPAC name of (1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The IUPAC name of (1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (CID 129378989) is (1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.
What is the SMILES notation for (1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The canonical SMILES for (1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is c1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc(O[C@H]2CCOC2)n1.
What is the InChIKey of (1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The InChIKey is MJJHHRVEIZDTTJ-DKKFBQAASA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-7-20(6-1)18(16-5-10-24-19(16)20)22-12-14-3-8-21-17(11-14)25-15-4-9-23-13-15/h3,8,11,15-16,18-19,22H,1-2,4-7,9-10,12-13H2/t15-,16-,18+,19-/m0/s1.
What are the key properties of (1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
(1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine has a molecular weight of 344.46 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is sourced from PubChem (CID 129378989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).