[[(Z,2S)-oct-6-en-2-yl]amino]methanol

C9H19NO — CID 129210241

IUPAC[[(Z,2S)-oct-6-en-2-yl]amino]methanol
SMILESC/C=C\CCC[C@H](C)NCO
InChIInChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h3-4,9-11H,5-8H2,1-2H3/b4-3-/t9-/m0/s1
InChIKeyFNWGFSDJXJQRPS-TYRPZCRBSA-N
MW157.26 g/mol
LogP1.66
Rot. Bonds6

About [[(Z,2S)-oct-6-en-2-yl]amino]methanol

[[(Z,2S)-oct-6-en-2-yl]amino]methanol (PubChem CID 129210241) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [[(Z,2S)-oct-6-en-2-yl]amino]methanol.

Molecular Properties

Compound Name[[(Z,2S)-oct-6-en-2-yl]amino]methanol
PubChem CID129210241
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[[(Z,2S)-oct-6-en-2-yl]amino]methanol
SMILESC/C=C\CCC[C@H](C)NCO
InChIInChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h3-4,9-11H,5-8H2,1-2H3/b4-3-/t9-/m0/s1
InChIKeyFNWGFSDJXJQRPS-TYRPZCRBSA-N
XLogP1.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[(Z,2S)-oct-6-en-2-yl]amino]methanol?
The IUPAC name of [[(Z,2S)-oct-6-en-2-yl]amino]methanol (CID 129210241) is [[(Z,2S)-oct-6-en-2-yl]amino]methanol.
What is the SMILES notation for [[(Z,2S)-oct-6-en-2-yl]amino]methanol?
The canonical SMILES for [[(Z,2S)-oct-6-en-2-yl]amino]methanol is C/C=C\CCC[C@H](C)NCO.
What is the InChIKey of [[(Z,2S)-oct-6-en-2-yl]amino]methanol?
The InChIKey is FNWGFSDJXJQRPS-TYRPZCRBSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h3-4,9-11H,5-8H2,1-2H3/b4-3-/t9-/m0/s1.
What are the key properties of [[(Z,2S)-oct-6-en-2-yl]amino]methanol?
[[(Z,2S)-oct-6-en-2-yl]amino]methanol has a molecular weight of 157.26 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(Z,2S)-oct-6-en-2-yl]amino]methanol is sourced from PubChem (CID 129210241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).