5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine

C18H27NO2 — CID 105010167

IUPAC5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(N)C2CCOC3(CCC3)C2)c1
InChIInChI=1S/C18H27NO2/c1-2-10-20-16-6-3-5-14(12-16)17(19)15-7-11-21-18(13-15)8-4-9-18/h3,5-6,12,15,17H,2,4,7-11,13,19H2,1H3
InChIKeyUNIKEKJAQHNJSV-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.82
Rot. Bonds5

About 5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine

5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine (PubChem CID 105010167) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine.

Molecular Properties

Compound Name5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine
PubChem CID105010167
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(N)C2CCOC3(CCC3)C2)c1
InChIInChI=1S/C18H27NO2/c1-2-10-20-16-6-3-5-14(12-16)17(19)15-7-11-21-18(13-15)8-4-9-18/h3,5-6,12,15,17H,2,4,7-11,13,19H2,1H3
InChIKeyUNIKEKJAQHNJSV-UHFFFAOYSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79906907
(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914518
(3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79906909
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81492336
(3-bromo-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010172
2,3-dihydro-1,4-benzodioxin-6-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010101
N-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine
CID 115856531
(4-ethylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106848506
(3-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79914241
(4-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017824
1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol
CID 79921809
(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171225239

Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine?
The IUPAC name of 5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine (CID 105010167) is 5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine.
What is the SMILES notation for 5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine?
The canonical SMILES for 5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine is CCCOc1cccc(C(N)C2CCOC3(CCC3)C2)c1.
What is the InChIKey of 5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine?
The InChIKey is UNIKEKJAQHNJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-10-20-16-6-3-5-14(12-16)17(19)15-7-11-21-18(13-15)8-4-9-18/h3,5-6,12,15,17H,2,4,7-11,13,19H2,1H3.
What are the key properties of 5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine?
5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine has a molecular weight of 289.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine is sourced from PubChem (CID 105010167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).