3-ethoxy-N-pentylspiro[3.3]heptan-1-amine

C14H27NO — CID 65295029

IUPAC3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
SMILESCCCCCNC1CC(OCC)C12CCC2
InChIInChI=1S/C14H27NO/c1-3-5-6-10-15-12-11-13(16-4-2)14(12)8-7-9-14/h12-13,15H,3-11H2,1-2H3
InChIKeyHMDFUQQZYSRXTR-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds7

About 3-ethoxy-N-pentylspiro[3.3]heptan-1-amine

3-ethoxy-N-pentylspiro[3.3]heptan-1-amine (PubChem CID 65295029) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-ethoxy-N-pentylspiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
PubChem CID65295029
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
SMILESCCCCCNC1CC(OCC)C12CCC2
InChIInChI=1S/C14H27NO/c1-3-5-6-10-15-12-11-13(16-4-2)14(12)8-7-9-14/h12-13,15H,3-11H2,1-2H3
InChIKeyHMDFUQQZYSRXTR-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethoxy-N-pentylspiro[3.3]heptan-1-amine 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

3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
CID 113352285
N-(3-ethoxyspiro[3.3]heptan-1-yl)-N',N'-diethylpropane-1,3-diamine
CID 65295475
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
N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295628
3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide
CID 64865041
5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol
CID 107270264
3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine
CID 64863091
3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine
CID 65294383
3-butoxy-N-propylspiro[3.6]decan-1-amine
CID 66357055
N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168043

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-pentylspiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-pentylspiro[3.3]heptan-1-amine (CID 65295029) is 3-ethoxy-N-pentylspiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-pentylspiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-pentylspiro[3.3]heptan-1-amine is CCCCCNC1CC(OCC)C12CCC2.
What is the InChIKey of 3-ethoxy-N-pentylspiro[3.3]heptan-1-amine?
The InChIKey is HMDFUQQZYSRXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-5-6-10-15-12-11-13(16-4-2)14(12)8-7-9-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 3-ethoxy-N-pentylspiro[3.3]heptan-1-amine?
3-ethoxy-N-pentylspiro[3.3]heptan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-pentylspiro[3.3]heptan-1-amine is sourced from PubChem (CID 65295029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).