(E,2S,3R)-9-amino-3-methylnon-6-en-2-ol

C10H21NO — CID 88887574

IUPAC(E,2S,3R)-9-amino-3-methylnon-6-en-2-ol
SMILESC[C@H](O)[C@H](C)CC/C=C/CCN
InChIInChI=1S/C10H21NO/c1-9(10(2)12)7-5-3-4-6-8-11/h3-4,9-10,12H,5-8,11H2,1-2H3/b4-3+/t9-,10+/m1/s1
InChIKeyJYFWGKKYILBCOJ-OKWQPMOJSA-N
MW171.28 g/mol
LogP1.69
Rot. Bonds6

About (E,2S,3R)-9-amino-3-methylnon-6-en-2-ol

(E,2S,3R)-9-amino-3-methylnon-6-en-2-ol (PubChem CID 88887574) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (E,2S,3R)-9-amino-3-methylnon-6-en-2-ol.

Molecular Properties

Compound Name(E,2S,3R)-9-amino-3-methylnon-6-en-2-ol
PubChem CID88887574
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(E,2S,3R)-9-amino-3-methylnon-6-en-2-ol
SMILESC[C@H](O)[C@H](C)CC/C=C/CCN
InChIInChI=1S/C10H21NO/c1-9(10(2)12)7-5-3-4-6-8-11/h3-4,9-10,12H,5-8,11H2,1-2H3/b4-3+/t9-,10+/m1/s1
InChIKeyJYFWGKKYILBCOJ-OKWQPMOJSA-N
XLogP1.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-9-amino-3-methylnon-6-en-2-ol?
The IUPAC name of (E,2S,3R)-9-amino-3-methylnon-6-en-2-ol (CID 88887574) is (E,2S,3R)-9-amino-3-methylnon-6-en-2-ol.
What is the SMILES notation for (E,2S,3R)-9-amino-3-methylnon-6-en-2-ol?
The canonical SMILES for (E,2S,3R)-9-amino-3-methylnon-6-en-2-ol is C[C@H](O)[C@H](C)CC/C=C/CCN.
What is the InChIKey of (E,2S,3R)-9-amino-3-methylnon-6-en-2-ol?
The InChIKey is JYFWGKKYILBCOJ-OKWQPMOJSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(10(2)12)7-5-3-4-6-8-11/h3-4,9-10,12H,5-8,11H2,1-2H3/b4-3+/t9-,10+/m1/s1.
What are the key properties of (E,2S,3R)-9-amino-3-methylnon-6-en-2-ol?
(E,2S,3R)-9-amino-3-methylnon-6-en-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-9-amino-3-methylnon-6-en-2-ol is sourced from PubChem (CID 88887574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).