N-butyl-5-oxaspiro[3.5]nonan-8-amine

C12H23NO — CID 79897471

IUPACN-butyl-5-oxaspiro[3.5]nonan-8-amine
SMILESCCCCNC1CCOC2(CCC2)C1
InChIInChI=1S/C12H23NO/c1-2-3-8-13-11-5-9-14-12(10-11)6-4-7-12/h11,13H,2-10H2,1H3
InChIKeyQZNWAEZTASOXMB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds4

About N-butyl-5-oxaspiro[3.5]nonan-8-amine

N-butyl-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79897471) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-butyl-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-butyl-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79897471
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-butyl-5-oxaspiro[3.5]nonan-8-amine
SMILESCCCCNC1CCOC2(CCC2)C1
InChIInChI=1S/C12H23NO/c1-2-3-8-13-11-5-9-14-12(10-11)6-4-7-12/h11,13H,2-10H2,1H3
InChIKeyQZNWAEZTASOXMB-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.48
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-butyl-5-oxaspiro[3.5]nonan-8-amine (CID 79897471) is N-butyl-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-butyl-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-butyl-5-oxaspiro[3.5]nonan-8-amine is CCCCNC1CCOC2(CCC2)C1.
What is the InChIKey of N-butyl-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is QZNWAEZTASOXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-8-13-11-5-9-14-12(10-11)6-4-7-12/h11,13H,2-10H2,1H3.
What are the key properties of N-butyl-5-oxaspiro[3.5]nonan-8-amine?
N-butyl-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 197.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79897471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).