3-ethoxy-N-(1-methoxypentan-2-yl)spiro[3.5]nonan-1-amine

C17H33NO2 — CID 65169505

IUPAC3-ethoxy-N-(1-methoxypentan-2-yl)spiro[3.5]nonan-1-amine
SMILESCCCC(COC)NC1CC(OCC)C12CCCCC2
InChIInChI=1S/C17H33NO2/c1-4-9-14(13-19-3)18-15-12-16(20-5-2)17(15)10-7-6-8-11-17/h14-16,18H,4-13H2,1-3H3
InChIKeyCOSMWADKWJFAQN-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.52
Rot. Bonds8

About 3-ethoxy-N-(1-methoxypentan-2-yl)spiro[3.5]nonan-1-amine

3-ethoxy-N-(1-methoxypentan-2-yl)spiro[3.5]nonan-1-amine (PubChem CID 65169505) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-ethoxy-N-(1-methoxypentan-2-yl)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1-methoxypentan-2-yl)spiro[3.5]nonan-1-amine
PubChem CID65169505
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name3-ethoxy-N-(1-methoxypentan-2-yl)spiro[3.5]nonan-1-amine
SMILESCCCC(COC)NC1CC(OCC)C12CCCCC2
InChIInChI=1S/C17H33NO2/c1-4-9-14(13-19-3)18-15-12-16(20-5-2)17(15)10-7-6-8-11-17/h14-16,18H,4-13H2,1-3H3
InChIKeyCOSMWADKWJFAQN-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-methoxypentan-2-yl)spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-(1-methoxypentan-2-yl)spiro[3.5]nonan-1-amine (CID 65169505) is 3-ethoxy-N-(1-methoxypentan-2-yl)spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(1-methoxypentan-2-yl)spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-(1-methoxypentan-2-yl)spiro[3.5]nonan-1-amine is CCCC(COC)NC1CC(OCC)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-(1-methoxypentan-2-yl)spiro[3.5]nonan-1-amine?
The InChIKey is COSMWADKWJFAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-9-14(13-19-3)18-15-12-16(20-5-2)17(15)10-7-6-8-11-17/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 3-ethoxy-N-(1-methoxypentan-2-yl)spiro[3.5]nonan-1-amine?
3-ethoxy-N-(1-methoxypentan-2-yl)spiro[3.5]nonan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-methoxypentan-2-yl)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 65169505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).