6-aminooct-5-en-1-ol;azane

C8H20N2O — CID 173397334

IUPAC6-aminooct-5-en-1-ol;azane
SMILESCCC(N)=CCCCCO.N
InChIInChI=1S/C8H17NO.H3N/c1-2-8(9)6-4-3-5-7-10;/h6,10H,2-5,7,9H2,1H3;1H3
InChIKeyKRUNHSFERQQEJT-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.56
Rot. Bonds5

About 6-aminooct-5-en-1-ol;azane

6-aminooct-5-en-1-ol;azane (PubChem CID 173397334) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 6-aminooct-5-en-1-ol;azane.

Molecular Properties

Compound Name6-aminooct-5-en-1-ol;azane
PubChem CID173397334
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name6-aminooct-5-en-1-ol;azane
SMILESCCC(N)=CCCCCO.N
InChIInChI=1S/C8H17NO.H3N/c1-2-8(9)6-4-3-5-7-10;/h6,10H,2-5,7,9H2,1H3;1H3
InChIKeyKRUNHSFERQQEJT-UHFFFAOYSA-N
XLogP1.56
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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(E)-6-butylpentadec-6-en-1-ol
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Frequently Asked Questions

What is the IUPAC name of 6-aminooct-5-en-1-ol;azane?
The IUPAC name of 6-aminooct-5-en-1-ol;azane (CID 173397334) is 6-aminooct-5-en-1-ol;azane.
What is the SMILES notation for 6-aminooct-5-en-1-ol;azane?
The canonical SMILES for 6-aminooct-5-en-1-ol;azane is CCC(N)=CCCCCO.N.
What is the InChIKey of 6-aminooct-5-en-1-ol;azane?
The InChIKey is KRUNHSFERQQEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.H3N/c1-2-8(9)6-4-3-5-7-10;/h6,10H,2-5,7,9H2,1H3;1H3.
What are the key properties of 6-aminooct-5-en-1-ol;azane?
6-aminooct-5-en-1-ol;azane has a molecular weight of 160.26 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminooct-5-en-1-ol;azane is sourced from PubChem (CID 173397334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).