(1S,3R)-3-methoxy-7-oxaspiro[3.5]nonan-1-amine;hydrochloride

C9H18ClNO2 — CID 178190351

IUPAC(1S,3R)-3-methoxy-7-oxaspiro[3.5]nonan-1-amine;hydrochloride
SMILESCO[C@@H]1C[C@H](N)C12CCOCC2.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-11-8-6-7(10)9(8)2-4-12-5-3-9;/h7-8H,2-6,10H2,1H3;1H/t7-,8+;/m0./s1
InChIKeyIQJBDBJRNRIIRT-KZYPOYLOSA-N
MW207.70 g/mol
LogP0.95
Rot. Bonds1

About (1S,3R)-3-methoxy-7-oxaspiro[3.5]nonan-1-amine;hydrochloride

(1S,3R)-3-methoxy-7-oxaspiro[3.5]nonan-1-amine;hydrochloride (PubChem CID 178190351) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is (1S,3R)-3-methoxy-7-oxaspiro[3.5]nonan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S,3R)-3-methoxy-7-oxaspiro[3.5]nonan-1-amine;hydrochloride
PubChem CID178190351
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name(1S,3R)-3-methoxy-7-oxaspiro[3.5]nonan-1-amine;hydrochloride
SMILESCO[C@@H]1C[C@H](N)C12CCOCC2.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-11-8-6-7(10)9(8)2-4-12-5-3-9;/h7-8H,2-6,10H2,1H3;1H/t7-,8+;/m0./s1
InChIKeyIQJBDBJRNRIIRT-KZYPOYLOSA-N
XLogP0.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxyspiro[3.4]octan-1-amine
CID 66357973
4-methoxy-6-oxaspiro[2.5]octan-2-amine
CID 130927854
cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 95970229
3-N-(3-methoxypropyl)-7-oxaspiro[3.5]nonane-1,3-diamine
CID 165451821
(1R,3S)-3-ethoxyspiro[3.4]octan-1-amine
CID 95566836
3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine
CID 66357984
1,2-dimethyl-6-oxaspiro[2.5]octane
CID 58482279
1,3-dimethoxy-7-azaspiro[3.5]nonane
CID 146150415
7-oxaspiro[2.6]nonan-2-amine
CID 65080551
(1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol
CID 97300107
(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol
CID 97300110
3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine
CID 66358515

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3-methoxy-7-oxaspiro[3.5]nonan-1-amine;hydrochloride?
The IUPAC name of (1S,3R)-3-methoxy-7-oxaspiro[3.5]nonan-1-amine;hydrochloride (CID 178190351) is (1S,3R)-3-methoxy-7-oxaspiro[3.5]nonan-1-amine;hydrochloride.
What is the SMILES notation for (1S,3R)-3-methoxy-7-oxaspiro[3.5]nonan-1-amine;hydrochloride?
The canonical SMILES for (1S,3R)-3-methoxy-7-oxaspiro[3.5]nonan-1-amine;hydrochloride is CO[C@@H]1C[C@H](N)C12CCOCC2.Cl.
What is the InChIKey of (1S,3R)-3-methoxy-7-oxaspiro[3.5]nonan-1-amine;hydrochloride?
The InChIKey is IQJBDBJRNRIIRT-KZYPOYLOSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-11-8-6-7(10)9(8)2-4-12-5-3-9;/h7-8H,2-6,10H2,1H3;1H/t7-,8+;/m0./s1.
What are the key properties of (1S,3R)-3-methoxy-7-oxaspiro[3.5]nonan-1-amine;hydrochloride?
(1S,3R)-3-methoxy-7-oxaspiro[3.5]nonan-1-amine;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-methoxy-7-oxaspiro[3.5]nonan-1-amine;hydrochloride is sourced from PubChem (CID 178190351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).