2-oxaspiro[4.5]decan-3-ylmethanamine;hydrochloride

C10H20ClNO — CID 154577476

IUPAC2-oxaspiro[4.5]decan-3-ylmethanamine;hydrochloride
SMILESCl.NCC1CC2(CCCCC2)CO1
InChIInChI=1S/C10H19NO.ClH/c11-7-9-6-10(8-12-9)4-2-1-3-5-10;/h9H,1-8,11H2;1H
InChIKeyLANCIHZGZRRRPE-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.11
Rot. Bonds1

About 2-oxaspiro[4.5]decan-3-ylmethanamine;hydrochloride

2-oxaspiro[4.5]decan-3-ylmethanamine;hydrochloride (PubChem CID 154577476) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-oxaspiro[4.5]decan-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name2-oxaspiro[4.5]decan-3-ylmethanamine;hydrochloride
PubChem CID154577476
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-oxaspiro[4.5]decan-3-ylmethanamine;hydrochloride
SMILESCl.NCC1CC2(CCCCC2)CO1
InChIInChI=1S/C10H19NO.ClH/c11-7-9-6-10(8-12-9)4-2-1-3-5-10;/h9H,1-8,11H2;1H
InChIKeyLANCIHZGZRRRPE-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxaspiro[4.5]decan-3-ylmethanamine;hydrochloride?
The IUPAC name of 2-oxaspiro[4.5]decan-3-ylmethanamine;hydrochloride (CID 154577476) is 2-oxaspiro[4.5]decan-3-ylmethanamine;hydrochloride.
What is the SMILES notation for 2-oxaspiro[4.5]decan-3-ylmethanamine;hydrochloride?
The canonical SMILES for 2-oxaspiro[4.5]decan-3-ylmethanamine;hydrochloride is Cl.NCC1CC2(CCCCC2)CO1.
What is the InChIKey of 2-oxaspiro[4.5]decan-3-ylmethanamine;hydrochloride?
The InChIKey is LANCIHZGZRRRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.ClH/c11-7-9-6-10(8-12-9)4-2-1-3-5-10;/h9H,1-8,11H2;1H.
What are the key properties of 2-oxaspiro[4.5]decan-3-ylmethanamine;hydrochloride?
2-oxaspiro[4.5]decan-3-ylmethanamine;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxaspiro[4.5]decan-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 154577476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).