1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol

C18H35NO2 — CID 106284498

IUPAC1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol
SMILESCCOC1CC(NCC(O)C(CC)CC)C12CCCCC2
InChIInChI=1S/C18H35NO2/c1-4-14(5-2)15(20)13-19-16-12-17(21-6-3)18(16)10-8-7-9-11-18/h14-17,19-20H,4-13H2,1-3H3
InChIKeyMHBVLZYFLYKWKJ-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.50
Rot. Bonds8

About 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol

1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol (PubChem CID 106284498) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol
PubChem CID106284498
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol
SMILESCCOC1CC(NCC(O)C(CC)CC)C12CCCCC2
InChIInChI=1S/C18H35NO2/c1-4-14(5-2)15(20)13-19-16-12-17(21-6-3)18(16)10-8-7-9-11-18/h14-17,19-20H,4-13H2,1-3H3
InChIKeyMHBVLZYFLYKWKJ-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol with MolForge

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Related Compounds

1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol
CID 65168000
3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine
CID 64865595
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2-methylpropan-2-ol
CID 65169617
1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol
CID 103921423
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol
CID 107270264
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056
N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 115906347
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine
CID 107269977
1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylbutan-2-ol
CID 65108075
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol (CID 106284498) is 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol is CCOC1CC(NCC(O)C(CC)CC)C12CCCCC2.
What is the InChIKey of 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol?
The InChIKey is MHBVLZYFLYKWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-4-14(5-2)15(20)13-19-16-12-17(21-6-3)18(16)10-8-7-9-11-18/h14-17,19-20H,4-13H2,1-3H3.
What are the key properties of 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol?
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol has a molecular weight of 297.48 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol is sourced from PubChem (CID 106284498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).