(3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine

C16H20N4O2 — CID 98813283

IUPAC(3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESc1cnc(N[C@H]2CO[C@@]3(CCN(Cc4ccoc4)C3)C2)cn1
InChIInChI=1S/C16H20N4O2/c1-6-21-10-13(1)9-20-5-2-16(12-20)7-14(11-22-16)19-15-8-17-3-4-18-15/h1,3-4,6,8,10,14H,2,5,7,9,11-12H2,(H,18,19)/t14-,16+/m1/s1
InChIKeyPCYJXNLEZDMUNJ-ZBFHGGJFSA-N
MW300.36 g/mol
LogP1.92
Rot. Bonds4

About (3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine

(3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine (PubChem CID 98813283) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine.

Molecular Properties

Compound Name(3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
PubChem CID98813283
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESc1cnc(N[C@H]2CO[C@@]3(CCN(Cc4ccoc4)C3)C2)cn1
InChIInChI=1S/C16H20N4O2/c1-6-21-10-13(1)9-20-5-2-16(12-20)7-14(11-22-16)19-15-8-17-3-4-18-15/h1,3-4,6,8,10,14H,2,5,7,9,11-12H2,(H,18,19)/t14-,16+/m1/s1
InChIKeyPCYJXNLEZDMUNJ-ZBFHGGJFSA-N
XLogP1.92
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The IUPAC name of (3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine (CID 98813283) is (3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine.
What is the SMILES notation for (3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The canonical SMILES for (3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine is c1cnc(N[C@H]2CO[C@@]3(CCN(Cc4ccoc4)C3)C2)cn1.
What is the InChIKey of (3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The InChIKey is PCYJXNLEZDMUNJ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-6-21-10-13(1)9-20-5-2-16(12-20)7-14(11-22-16)19-15-8-17-3-4-18-15/h1,3-4,6,8,10,14H,2,5,7,9,11-12H2,(H,18,19)/t14-,16+/m1/s1.
What are the key properties of (3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
(3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine has a molecular weight of 300.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine is sourced from PubChem (CID 98813283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).