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

C14H27NO2 — CID 65168000

IUPAC1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol
SMILESCCOC1CC(NCC(C)O)C12CCCCC2
InChIInChI=1S/C14H27NO2/c1-3-17-13-9-12(15-10-11(2)16)14(13)7-5-4-6-8-14/h11-13,15-16H,3-10H2,1-2H3
InChIKeyKADHGUBYGYMEOB-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.08
Rot. Bonds5

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

1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol (PubChem CID 65168000) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol
PubChem CID65168000
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol
SMILESCCOC1CC(NCC(C)O)C12CCCCC2
InChIInChI=1S/C14H27NO2/c1-3-17-13-9-12(15-10-11(2)16)14(13)7-5-4-6-8-14/h11-13,15-16H,3-10H2,1-2H3
InChIKeyKADHGUBYGYMEOB-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol
CID 106284498
3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine
CID 64865595
5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol
CID 107270264
1-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-4,4-dimethylpentan-2-ol
CID 103921423
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2-methylpropan-2-ol
CID 65169617
(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
CID 114987255
N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 115906347
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-(furan-2-yl)ethanol
CID 75483267
N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine
CID 66357172
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.5]nonan-1-amine
CID 65167855

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol?
The IUPAC name of 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol (CID 65168000) is 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol is CCOC1CC(NCC(C)O)C12CCCCC2.
What is the InChIKey of 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol?
The InChIKey is KADHGUBYGYMEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-17-13-9-12(15-10-11(2)16)14(13)7-5-4-6-8-14/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol?
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol has a molecular weight of 241.37 g/mol, XLogP of 2.08, 5 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]propan-2-ol is sourced from PubChem (CID 65168000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).