3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine

C17H33NO — CID 65167976

IUPAC3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCCC(C)C)C12CCCCC2
InChIInChI=1S/C17H33NO/c1-4-19-16-13-15(18-12-8-9-14(2)3)17(16)10-6-5-7-11-17/h14-16,18H,4-13H2,1-3H3
InChIKeyDSFMBKICFDORKS-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds7

About 3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine

3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine (PubChem CID 65167976) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
PubChem CID65167976
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCCC(C)C)C12CCCCC2
InChIInChI=1S/C17H33NO/c1-4-19-16-13-15(18-12-8-9-14(2)3)17(16)10-6-5-7-11-17/h14-16,18H,4-13H2,1-3H3
InChIKeyDSFMBKICFDORKS-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol
CID 107270264
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029
N-ethyl-3-(4-methylpentoxy)spiro[3.5]nonan-1-amine
CID 66358237
3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine
CID 64863091
N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168043
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol
CID 65168000
3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide
CID 64865041
3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine
CID 115517615
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
CID 113352285
N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295628
3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine
CID 64865595

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine (CID 65167976) is 3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine is CCOC1CC(NCCCC(C)C)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine?
The InChIKey is DSFMBKICFDORKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-19-16-13-15(18-12-8-9-14(2)3)17(16)10-6-5-7-11-17/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine?
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 65167976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).