8-butoxynon-8-en-1-amine

C13H27NO — CID 90202015

IUPAC8-butoxynon-8-en-1-amine
SMILESC=C(CCCCCCCN)OCCCC
InChIInChI=1S/C13H27NO/c1-3-4-12-15-13(2)10-8-6-5-7-9-11-14/h2-12,14H2,1H3
InChIKeyVFJXSVYJDALDAZ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.62
Rot. Bonds11

About 8-butoxynon-8-en-1-amine

8-butoxynon-8-en-1-amine (PubChem CID 90202015) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 8-butoxynon-8-en-1-amine.

Molecular Properties

Compound Name8-butoxynon-8-en-1-amine
PubChem CID90202015
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name8-butoxynon-8-en-1-amine
SMILESC=C(CCCCCCCN)OCCCC
InChIInChI=1S/C13H27NO/c1-3-4-12-15-13(2)10-8-6-5-7-9-11-14/h2-12,14H2,1H3
InChIKeyVFJXSVYJDALDAZ-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-butoxynon-8-en-1-amine?
The IUPAC name of 8-butoxynon-8-en-1-amine (CID 90202015) is 8-butoxynon-8-en-1-amine.
What is the SMILES notation for 8-butoxynon-8-en-1-amine?
The canonical SMILES for 8-butoxynon-8-en-1-amine is C=C(CCCCCCCN)OCCCC.
What is the InChIKey of 8-butoxynon-8-en-1-amine?
The InChIKey is VFJXSVYJDALDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-4-12-15-13(2)10-8-6-5-7-9-11-14/h2-12,14H2,1H3.
What are the key properties of 8-butoxynon-8-en-1-amine?
8-butoxynon-8-en-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.62, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butoxynon-8-en-1-amine is sourced from PubChem (CID 90202015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).