6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol

C15H29NO2 — CID 113352285

IUPAC6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
SMILESCCOC1CC(NCCCCCCO)C12CCC2
InChIInChI=1S/C15H29NO2/c1-2-18-14-12-13(15(14)8-7-9-15)16-10-5-3-4-6-11-17/h13-14,16-17H,2-12H2,1H3
InChIKeyKRBKXHQFSUCPEZ-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.48
Rot. Bonds9

About 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol

6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol (PubChem CID 113352285) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
PubChem CID113352285
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
SMILESCCOC1CC(NCCCCCCO)C12CCC2
InChIInChI=1S/C15H29NO2/c1-2-18-14-12-13(15(14)8-7-9-15)16-10-5-3-4-6-11-17/h13-14,16-17H,2-12H2,1H3
InChIKeyKRBKXHQFSUCPEZ-UHFFFAOYSA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
N-(3-ethoxyspiro[3.3]heptan-1-yl)-N',N'-diethylpropane-1,3-diamine
CID 65295475
3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethylsulfanyl]propan-1-ol
CID 103921301
N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295628
2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol
CID 64862901
5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4,4-dimethylpentan-1-ol
CID 103921801
3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine
CID 115517615
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976
5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol
CID 107270264
3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide
CID 64865041
N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864059

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol (CID 113352285) is 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol is CCOC1CC(NCCCCCCO)C12CCC2.
What is the InChIKey of 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol?
The InChIKey is KRBKXHQFSUCPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-18-14-12-13(15(14)8-7-9-15)16-10-5-3-4-6-11-17/h13-14,16-17H,2-12H2,1H3.
What are the key properties of 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol?
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol is sourced from PubChem (CID 113352285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).