(E,3R)-1-amino-3-ethylnon-6-en-3-ol

C11H23NO — CID 170291638

IUPAC(E,3R)-1-amino-3-ethylnon-6-en-3-ol
SMILESCC/C=C/CC[C@](O)(CC)CCN
InChIInChI=1S/C11H23NO/c1-3-5-6-7-8-11(13,4-2)9-10-12/h5-6,13H,3-4,7-10,12H2,1-2H3/b6-5+/t11-/m1/s1
InChIKeyHGSNBCXAIIGISX-MVIFTORASA-N
MW185.31 g/mol
LogP2.22
Rot. Bonds7

About (E,3R)-1-amino-3-ethylnon-6-en-3-ol

(E,3R)-1-amino-3-ethylnon-6-en-3-ol (PubChem CID 170291638) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (E,3R)-1-amino-3-ethylnon-6-en-3-ol.

Molecular Properties

Compound Name(E,3R)-1-amino-3-ethylnon-6-en-3-ol
PubChem CID170291638
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(E,3R)-1-amino-3-ethylnon-6-en-3-ol
SMILESCC/C=C/CC[C@](O)(CC)CCN
InChIInChI=1S/C11H23NO/c1-3-5-6-7-8-11(13,4-2)9-10-12/h5-6,13H,3-4,7-10,12H2,1-2H3/b6-5+/t11-/m1/s1
InChIKeyHGSNBCXAIIGISX-MVIFTORASA-N
XLogP2.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-propylnon-6-en-4-ol
CID 173242114
2-(2-aminoethyl)pentane-1,2-diol
CID 88986362
2,2-dimethyloct-5-enamide
CID 174985624
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
dimethyl 2,2-bis[(Z)-hex-3-enyl]propanedioate
CID 166006092
pentadec-12-en-1-amine
CID 174557378
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;ethane-1,2-diamine
CID 72946336
diethyl 2,2-bis(hex-3-enyl)propanedioate
CID 139700137
2-methyltridec-10-en-2-ol
CID 145096785
1-amino-3-methylpentan-3-ol
CID 54320456
(Z)-3-butyl-3-[(Z)-hex-3-enyl]non-6-ene-1,1,1-triol
CID 87486181

Frequently Asked Questions

What is the IUPAC name of (E,3R)-1-amino-3-ethylnon-6-en-3-ol?
The IUPAC name of (E,3R)-1-amino-3-ethylnon-6-en-3-ol (CID 170291638) is (E,3R)-1-amino-3-ethylnon-6-en-3-ol.
What is the SMILES notation for (E,3R)-1-amino-3-ethylnon-6-en-3-ol?
The canonical SMILES for (E,3R)-1-amino-3-ethylnon-6-en-3-ol is CC/C=C/CC[C@](O)(CC)CCN.
What is the InChIKey of (E,3R)-1-amino-3-ethylnon-6-en-3-ol?
The InChIKey is HGSNBCXAIIGISX-MVIFTORASA-N. The full InChI is InChI=1S/C11H23NO/c1-3-5-6-7-8-11(13,4-2)9-10-12/h5-6,13H,3-4,7-10,12H2,1-2H3/b6-5+/t11-/m1/s1.
What are the key properties of (E,3R)-1-amino-3-ethylnon-6-en-3-ol?
(E,3R)-1-amino-3-ethylnon-6-en-3-ol has a molecular weight of 185.31 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-1-amino-3-ethylnon-6-en-3-ol is sourced from PubChem (CID 170291638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).