(3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine

C12H17N3O — CID 97486953

IUPAC(3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESc1cncc(N[C@H]2CO[C@@]3(CCNC3)C2)c1
InChIInChI=1S/C12H17N3O/c1-2-10(7-13-4-1)15-11-6-12(16-8-11)3-5-14-9-12/h1-2,4,7,11,14-15H,3,5-6,8-9H2/t11-,12+/m1/s1
InChIKeyYVVURQKLCZVCMP-NEPJUHHUSA-N
MW219.29 g/mol
LogP1.01
Rot. Bonds2

About (3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine

(3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine (PubChem CID 97486953) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine.

Molecular Properties

Compound Name(3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
PubChem CID97486953
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESc1cncc(N[C@H]2CO[C@@]3(CCNC3)C2)c1
InChIInChI=1S/C12H17N3O/c1-2-10(7-13-4-1)15-11-6-12(16-8-11)3-5-14-9-12/h1-2,4,7,11,14-15H,3,5-6,8-9H2/t11-,12+/m1/s1
InChIKeyYVVURQKLCZVCMP-NEPJUHHUSA-N
XLogP1.01
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Pyridin-4-yl)-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 3150972
N-(2-methoxyethyl)-N-methyl-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118746815
((Oxolan-2-yl)methyl)((pyridin-3-yl)methyl)amine
CID 3156810
4-N-[1-(oxolan-2-yl)ethyl]pyridine-3,4-diamine
CID 43533836
5-[1-(Oxan-3-yl)ethylamino]pyridine-2-carbonitrile
CID 86785465
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pyridin-3-amine
CID 97323498
2-(Oxolan-2-yl)-1-(pyridin-3-yl)ethan-1-amine
CID 60924969
1-(oxolan-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
CID 75516302
N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 82811236
N-(oxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 82811665
N-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 82811776
N-(2,2,5,5-tetramethyloxolan-3-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 82812038

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The IUPAC name of (3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine (CID 97486953) is (3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine.
What is the SMILES notation for (3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The canonical SMILES for (3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine is c1cncc(N[C@H]2CO[C@@]3(CCNC3)C2)c1.
What is the InChIKey of (3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The InChIKey is YVVURQKLCZVCMP-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-10(7-13-4-1)15-11-6-12(16-8-11)3-5-14-9-12/h1-2,4,7,11,14-15H,3,5-6,8-9H2/t11-,12+/m1/s1.
What are the key properties of (3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
(3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine has a molecular weight of 219.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine is sourced from PubChem (CID 97486953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).