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

C9H17NO — CID 99996112

IUPAC[(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine
SMILESNC[C@@H]1CC[C@]2(CCCO2)C1
InChIInChI=1S/C9H17NO/c10-7-8-2-4-9(6-8)3-1-5-11-9/h8H,1-7,10H2/t8-,9-/m1/s1
InChIKeyYLNCNCKBFMBMBH-RKDXNWHRSA-N
MW155.24 g/mol
LogP1.29
Rot. Bonds1

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

[(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine (PubChem CID 99996112) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine.

Molecular Properties

Compound Name[(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine
PubChem CID99996112
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine
SMILESNC[C@@H]1CC[C@]2(CCCO2)C1
InChIInChI=1S/C9H17NO/c10-7-8-2-4-9(6-8)3-1-5-11-9/h8H,1-7,10H2/t8-,9-/m1/s1
InChIKeyYLNCNCKBFMBMBH-RKDXNWHRSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,8S)-1-oxaspiro[4.4]nonan-8-amine
CID 99996100
1-oxaspiro[4.5]decan-8-amine
CID 67070405
8-ethyl-1-oxaspiro[4.5]decane
CID 137449478
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
CID 79902247
10-ethyl-1-oxaspiro[5.5]undecane
CID 144986649
2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79924373
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719
2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde
CID 79920668
2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 81020446
2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde
CID 79920475
7-(aminomethyl)-1-oxa-3-azaspiro[4.5]decan-2-one
CID 135266691
[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81011233

Frequently Asked Questions

What is the IUPAC name of [(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine?
The IUPAC name of [(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine (CID 99996112) is [(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine.
What is the SMILES notation for [(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine?
The canonical SMILES for [(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine is NC[C@@H]1CC[C@]2(CCCO2)C1.
What is the InChIKey of [(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine?
The InChIKey is YLNCNCKBFMBMBH-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17NO/c10-7-8-2-4-9(6-8)3-1-5-11-9/h8H,1-7,10H2/t8-,9-/m1/s1.
What are the key properties of [(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine?
[(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine has a molecular weight of 155.24 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine is sourced from PubChem (CID 99996112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).