N-butan-2-yl-3-ethoxyspiro[3.5]nonan-1-amine

C15H29NO — CID 65170260

IUPACN-butan-2-yl-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(NC(C)CC)C12CCCCC2
InChIInChI=1S/C15H29NO/c1-4-12(3)16-13-11-14(17-5-2)15(13)9-7-6-8-10-15/h12-14,16H,4-11H2,1-3H3
InChIKeyVVWAXKYWFKVTAT-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds5

About N-butan-2-yl-3-ethoxyspiro[3.5]nonan-1-amine

N-butan-2-yl-3-ethoxyspiro[3.5]nonan-1-amine (PubChem CID 65170260) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-butan-2-yl-3-ethoxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-ethoxyspiro[3.5]nonan-1-amine
PubChem CID65170260
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-butan-2-yl-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(NC(C)CC)C12CCCCC2
InChIInChI=1S/C15H29NO/c1-4-12(3)16-13-11-14(17-5-2)15(13)9-7-6-8-10-15/h12-14,16H,4-11H2,1-3H3
InChIKeyVVWAXKYWFKVTAT-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-ethoxyspiro[3.5]nonan-1-amine?
The IUPAC name of N-butan-2-yl-3-ethoxyspiro[3.5]nonan-1-amine (CID 65170260) is N-butan-2-yl-3-ethoxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for N-butan-2-yl-3-ethoxyspiro[3.5]nonan-1-amine?
The canonical SMILES for N-butan-2-yl-3-ethoxyspiro[3.5]nonan-1-amine is CCOC1CC(NC(C)CC)C12CCCCC2.
What is the InChIKey of N-butan-2-yl-3-ethoxyspiro[3.5]nonan-1-amine?
The InChIKey is VVWAXKYWFKVTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-12(3)16-13-11-14(17-5-2)15(13)9-7-6-8-10-15/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-butan-2-yl-3-ethoxyspiro[3.5]nonan-1-amine?
N-butan-2-yl-3-ethoxyspiro[3.5]nonan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-ethoxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 65170260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).