(5R,8S)-1-oxaspiro[4.4]nonan-8-amine

C8H15NO — CID 99996100

IUPAC(5R,8S)-1-oxaspiro[4.4]nonan-8-amine
SMILESN[C@H]1CC[C@@]2(CCCO2)C1
InChIInChI=1S/C8H15NO/c9-7-2-4-8(6-7)3-1-5-10-8/h7H,1-6,9H2/t7-,8-/m0/s1
InChIKeyCIYOGFQAHPYXSN-YUMQZZPRSA-N
MW141.21 g/mol
LogP1.05
Rot. Bonds

About (5R,8S)-1-oxaspiro[4.4]nonan-8-amine

(5R,8S)-1-oxaspiro[4.4]nonan-8-amine (PubChem CID 99996100) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (5R,8S)-1-oxaspiro[4.4]nonan-8-amine.

Molecular Properties

Compound Name(5R,8S)-1-oxaspiro[4.4]nonan-8-amine
PubChem CID99996100
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(5R,8S)-1-oxaspiro[4.4]nonan-8-amine
SMILESN[C@H]1CC[C@@]2(CCCO2)C1
InChIInChI=1S/C8H15NO/c9-7-2-4-8(6-7)3-1-5-10-8/h7H,1-6,9H2/t7-,8-/m0/s1
InChIKeyCIYOGFQAHPYXSN-YUMQZZPRSA-N
XLogP1.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-oxaspiro[4.5]decan-8-amine
CID 67070405
[(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine
CID 99996112
1-oxaspiro[4.5]decan-3-amine
CID 19040159
3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 116538915
(3S)-1-oxaspiro[4.4]nonan-3-amine
CID 42546206
5-oxaspiro[3.5]nonane-2,8-diamine
CID 167736424
5-oxaspiro[3.4]octan-7-amine;hydrochloride
CID 122156633
1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
CID 79900905
1-oxaspiro[4.4]nonane-2,8-diamine
CID 170328430
(4S,6R)-8-methyl-1-oxa-8-azaspiro[5.5]undecan-4-amine
CID 99110024
(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886
O-(1-oxaspiro[5.5]undecan-4-yl)hydroxylamine
CID 79894176

Frequently Asked Questions

What is the IUPAC name of (5R,8S)-1-oxaspiro[4.4]nonan-8-amine?
The IUPAC name of (5R,8S)-1-oxaspiro[4.4]nonan-8-amine (CID 99996100) is (5R,8S)-1-oxaspiro[4.4]nonan-8-amine.
What is the SMILES notation for (5R,8S)-1-oxaspiro[4.4]nonan-8-amine?
The canonical SMILES for (5R,8S)-1-oxaspiro[4.4]nonan-8-amine is N[C@H]1CC[C@@]2(CCCO2)C1.
What is the InChIKey of (5R,8S)-1-oxaspiro[4.4]nonan-8-amine?
The InChIKey is CIYOGFQAHPYXSN-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15NO/c9-7-2-4-8(6-7)3-1-5-10-8/h7H,1-6,9H2/t7-,8-/m0/s1.
What are the key properties of (5R,8S)-1-oxaspiro[4.4]nonan-8-amine?
(5R,8S)-1-oxaspiro[4.4]nonan-8-amine has a molecular weight of 141.21 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8S)-1-oxaspiro[4.4]nonan-8-amine is sourced from PubChem (CID 99996100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).