1-(oxan-3-yl)decan-1-amine

C15H31NO — CID 65331905

IUPAC1-(oxan-3-yl)decan-1-amine
SMILESCCCCCCCCCC(N)C1CCCOC1
InChIInChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-11-15(16)14-10-9-12-17-13-14/h14-15H,2-13,16H2,1H3
InChIKeyLLXSGZKQRBNSLD-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.88
Rot. Bonds9

About 1-(oxan-3-yl)decan-1-amine

1-(oxan-3-yl)decan-1-amine (PubChem CID 65331905) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(oxan-3-yl)decan-1-amine.

Molecular Properties

Compound Name1-(oxan-3-yl)decan-1-amine
PubChem CID65331905
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(oxan-3-yl)decan-1-amine
SMILESCCCCCCCCCC(N)C1CCCOC1
InChIInChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-11-15(16)14-10-9-12-17-13-14/h14-15H,2-13,16H2,1H3
InChIKeyLLXSGZKQRBNSLD-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.88
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

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CID 65332455
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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)decan-1-amine?
The IUPAC name of 1-(oxan-3-yl)decan-1-amine (CID 65331905) is 1-(oxan-3-yl)decan-1-amine.
What is the SMILES notation for 1-(oxan-3-yl)decan-1-amine?
The canonical SMILES for 1-(oxan-3-yl)decan-1-amine is CCCCCCCCCC(N)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)decan-1-amine?
The InChIKey is LLXSGZKQRBNSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-11-15(16)14-10-9-12-17-13-14/h14-15H,2-13,16H2,1H3.
What are the key properties of 1-(oxan-3-yl)decan-1-amine?
1-(oxan-3-yl)decan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)decan-1-amine is sourced from PubChem (CID 65331905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).