1-oxaspiro[4.5]decan-2-ylmethanamine;hydrochloride

C10H20ClNO — CID 86775344

IUPAC1-oxaspiro[4.5]decan-2-ylmethanamine;hydrochloride
SMILESCl.NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C10H19NO.ClH/c11-8-9-4-7-10(12-9)5-2-1-3-6-10;/h9H,1-8,11H2;1H
InChIKeyAXPYWEGPQRSAOH-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.25
Rot. Bonds1

About 1-oxaspiro[4.5]decan-2-ylmethanamine;hydrochloride

1-oxaspiro[4.5]decan-2-ylmethanamine;hydrochloride (PubChem CID 86775344) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 1-oxaspiro[4.5]decan-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-oxaspiro[4.5]decan-2-ylmethanamine;hydrochloride
PubChem CID86775344
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name1-oxaspiro[4.5]decan-2-ylmethanamine;hydrochloride
SMILESCl.NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C10H19NO.ClH/c11-8-9-4-7-10(12-9)5-2-1-3-6-10;/h9H,1-8,11H2;1H
InChIKeyAXPYWEGPQRSAOH-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Oxaspiro[4.5]decan-3-amine hydrochloride
CID 45926172
1-Oxaspiro[4.5]decan-4-amine
CID 105430398
1-Oxaspiro[4.5]decan-3-amine
CID 19040159
(1-Oxaspiro[4.5]decan-2-yl)methanamine
CID 86775345
2-Cyclohexyl-2-ethoxyethan-1-amine
CID 66073405
{1-Oxaspiro[4.6]undecan-2-yl}methanamine hydrochloride
CID 132344558
rac-((3aR,7aS)-octahydro-1-benzofuran-2-yl)methanamine hydrochloride
CID 138008248
1-{2-Oxaspiro[4.5]decan-3-yl}methanamine hydrochloride
CID 154577476
{1-Oxaspiro[4.4]nonan-2-yl}methanamine
CID 102896528
[5-(2,4-Difluorocyclohexyl)oxolan-2-yl]methanamine
CID 140479037
[(2R)-8,8-difluoro-1-oxaspiro[4.5]decan-2-yl]methanamine
CID 125450153
[(2S)-8,8-difluoro-1-oxaspiro[4.5]decan-2-yl]methanamine
CID 125450154

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.5]decan-2-ylmethanamine;hydrochloride?
The IUPAC name of 1-oxaspiro[4.5]decan-2-ylmethanamine;hydrochloride (CID 86775344) is 1-oxaspiro[4.5]decan-2-ylmethanamine;hydrochloride.
What is the SMILES notation for 1-oxaspiro[4.5]decan-2-ylmethanamine;hydrochloride?
The canonical SMILES for 1-oxaspiro[4.5]decan-2-ylmethanamine;hydrochloride is Cl.NCC1CCC2(CCCCC2)O1.
What is the InChIKey of 1-oxaspiro[4.5]decan-2-ylmethanamine;hydrochloride?
The InChIKey is AXPYWEGPQRSAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.ClH/c11-8-9-4-7-10(12-9)5-2-1-3-6-10;/h9H,1-8,11H2;1H.
What are the key properties of 1-oxaspiro[4.5]decan-2-ylmethanamine;hydrochloride?
1-oxaspiro[4.5]decan-2-ylmethanamine;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.5]decan-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 86775344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).