7-oxaspiro[3.5]nonan-8-ylmethanamine;hydrochloride

C9H18ClNO — CID 154814521

IUPAC7-oxaspiro[3.5]nonan-8-ylmethanamine;hydrochloride
SMILESCl.NCC1CC2(CCC2)CCO1
InChIInChI=1S/C9H17NO.ClH/c10-7-8-6-9(2-1-3-9)4-5-11-8;/h8H,1-7,10H2;1H
InChIKeyVJBXFLXWRMBSPF-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.72
Rot. Bonds1

About 7-oxaspiro[3.5]nonan-8-ylmethanamine;hydrochloride

7-oxaspiro[3.5]nonan-8-ylmethanamine;hydrochloride (PubChem CID 154814521) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 7-oxaspiro[3.5]nonan-8-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name7-oxaspiro[3.5]nonan-8-ylmethanamine;hydrochloride
PubChem CID154814521
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name7-oxaspiro[3.5]nonan-8-ylmethanamine;hydrochloride
SMILESCl.NCC1CC2(CCC2)CCO1
InChIInChI=1S/C9H17NO.ClH/c10-7-8-6-9(2-1-3-9)4-5-11-8;/h8H,1-7,10H2;1H
InChIKeyVJBXFLXWRMBSPF-UHFFFAOYSA-N
XLogP1.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-Dimethyloxan-2-yl)methanamine hydrochloride
CID 138027444
(5,5-Dimethyloxan-2-yl)methanamine hydrochloride
CID 126818463
{5-Oxaspiro[3.5]nonan-6-yl}methanamine hydrochloride
CID 132300825
2-(3,3-Dimethyloxan-2-yl)ethan-1-amine hydrochloride
CID 138040783
1-{5-Methyl-2-oxabicyclo[3.1.1]heptan-1-yl}methanamine hydrochloride
CID 146050096
(6-Oxaspiro[2.5]octan-5-yl)methanamine hydrochloride
CID 177801497
1-(3,3-Dimethyloxan-2-yl)methanamine
CID 138027445
(5,5-Dimethyloxan-2-yl)methanamine
CID 126818464
1-{7-Oxaspiro[3.5]nonan-6-yl}methanamine
CID 154814522
[(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine
CID 163867395
(5-Tert-butyloxan-2-yl)methanamine
CID 164830526
[(2R,5S,6R)-5,6-dimethyloxan-2-yl]methanamine
CID 166963751

Frequently Asked Questions

What is the IUPAC name of 7-oxaspiro[3.5]nonan-8-ylmethanamine;hydrochloride?
The IUPAC name of 7-oxaspiro[3.5]nonan-8-ylmethanamine;hydrochloride (CID 154814521) is 7-oxaspiro[3.5]nonan-8-ylmethanamine;hydrochloride.
What is the SMILES notation for 7-oxaspiro[3.5]nonan-8-ylmethanamine;hydrochloride?
The canonical SMILES for 7-oxaspiro[3.5]nonan-8-ylmethanamine;hydrochloride is Cl.NCC1CC2(CCC2)CCO1.
What is the InChIKey of 7-oxaspiro[3.5]nonan-8-ylmethanamine;hydrochloride?
The InChIKey is VJBXFLXWRMBSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c10-7-8-6-9(2-1-3-9)4-5-11-8;/h8H,1-7,10H2;1H.
What are the key properties of 7-oxaspiro[3.5]nonan-8-ylmethanamine;hydrochloride?
7-oxaspiro[3.5]nonan-8-ylmethanamine;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxaspiro[3.5]nonan-8-ylmethanamine;hydrochloride is sourced from PubChem (CID 154814521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).