(E,5S)-5-amino-7-methylnon-3-en-4-ol

C10H21NO — CID 134566739

IUPAC(E,5S)-5-amino-7-methylnon-3-en-4-ol
SMILESCC/C=C(/O)[C@@H](N)CC(C)CC
InChIInChI=1S/C10H21NO/c1-4-6-10(12)9(11)7-8(3)5-2/h6,8-9,12H,4-5,7,11H2,1-3H3/b10-6+/t8?,9-/m0/s1
InChIKeyHRCZETHDMAEXDX-JDDXQWCESA-N
MW171.28 g/mol
LogP2.60
Rot. Bonds5

About (E,5S)-5-amino-7-methylnon-3-en-4-ol

(E,5S)-5-amino-7-methylnon-3-en-4-ol (PubChem CID 134566739) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (E,5S)-5-amino-7-methylnon-3-en-4-ol.

Molecular Properties

Compound Name(E,5S)-5-amino-7-methylnon-3-en-4-ol
PubChem CID134566739
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(E,5S)-5-amino-7-methylnon-3-en-4-ol
SMILESCC/C=C(/O)[C@@H](N)CC(C)CC
InChIInChI=1S/C10H21NO/c1-4-6-10(12)9(11)7-8(3)5-2/h6,8-9,12H,4-5,7,11H2,1-3H3/b10-6+/t8?,9-/m0/s1
InChIKeyHRCZETHDMAEXDX-JDDXQWCESA-N
XLogP2.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,5S)-5-amino-7-methylnon-3-en-4-ol?
The IUPAC name of (E,5S)-5-amino-7-methylnon-3-en-4-ol (CID 134566739) is (E,5S)-5-amino-7-methylnon-3-en-4-ol.
What is the SMILES notation for (E,5S)-5-amino-7-methylnon-3-en-4-ol?
The canonical SMILES for (E,5S)-5-amino-7-methylnon-3-en-4-ol is CC/C=C(/O)[C@@H](N)CC(C)CC.
What is the InChIKey of (E,5S)-5-amino-7-methylnon-3-en-4-ol?
The InChIKey is HRCZETHDMAEXDX-JDDXQWCESA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-10(12)9(11)7-8(3)5-2/h6,8-9,12H,4-5,7,11H2,1-3H3/b10-6+/t8?,9-/m0/s1.
What are the key properties of (E,5S)-5-amino-7-methylnon-3-en-4-ol?
(E,5S)-5-amino-7-methylnon-3-en-4-ol has a molecular weight of 171.28 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-5-amino-7-methylnon-3-en-4-ol is sourced from PubChem (CID 134566739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).