(3R)-3-ethyl-2-(ethylamino)-5-methylnon-8-enoic acid;hydrochloride

C14H28ClNO2 — CID 122613877

IUPAC(3R)-3-ethyl-2-(ethylamino)-5-methylnon-8-enoic acid;hydrochloride
SMILESC=CCCC(C)C[C@@H](CC)C(NCC)C(=O)O.Cl
InChIInChI=1S/C14H27NO2.ClH/c1-5-8-9-11(4)10-12(6-2)13(14(16)17)15-7-3;/h5,11-13,15H,1,6-10H2,2-4H3,(H,16,17);1H/t11?,12-,13?;/m1./s1
InChIKeyFFKFZODCAKOMGM-YKZSTEGZSA-N
MW277.84 g/mol
LogP3.49
Rot. Bonds10

About (3R)-3-ethyl-2-(ethylamino)-5-methylnon-8-enoic acid;hydrochloride

(3R)-3-ethyl-2-(ethylamino)-5-methylnon-8-enoic acid;hydrochloride (PubChem CID 122613877) has the molecular formula C14H28ClNO2 and a molecular weight of 277.84 g/mol. Its IUPAC name is (3R)-3-ethyl-2-(ethylamino)-5-methylnon-8-enoic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-3-ethyl-2-(ethylamino)-5-methylnon-8-enoic acid;hydrochloride
PubChem CID122613877
Molecular FormulaC14H28ClNO2
Molecular Weight277.84 g/mol
Exact Mass277.18
IUPAC Name(3R)-3-ethyl-2-(ethylamino)-5-methylnon-8-enoic acid;hydrochloride
SMILESC=CCCC(C)C[C@@H](CC)C(NCC)C(=O)O.Cl
InChIInChI=1S/C14H27NO2.ClH/c1-5-8-9-11(4)10-12(6-2)13(14(16)17)15-7-3;/h5,11-13,15H,1,6-10H2,2-4H3,(H,16,17);1H/t11?,12-,13?;/m1./s1
InChIKeyFFKFZODCAKOMGM-YKZSTEGZSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 53.49
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 (3R)-3-ethyl-2-(ethylamino)-5-methylnon-8-enoic acid;hydrochloride?
The IUPAC name of (3R)-3-ethyl-2-(ethylamino)-5-methylnon-8-enoic acid;hydrochloride (CID 122613877) is (3R)-3-ethyl-2-(ethylamino)-5-methylnon-8-enoic acid;hydrochloride.
What is the SMILES notation for (3R)-3-ethyl-2-(ethylamino)-5-methylnon-8-enoic acid;hydrochloride?
The canonical SMILES for (3R)-3-ethyl-2-(ethylamino)-5-methylnon-8-enoic acid;hydrochloride is C=CCCC(C)C[C@@H](CC)C(NCC)C(=O)O.Cl.
What is the InChIKey of (3R)-3-ethyl-2-(ethylamino)-5-methylnon-8-enoic acid;hydrochloride?
The InChIKey is FFKFZODCAKOMGM-YKZSTEGZSA-N. The full InChI is InChI=1S/C14H27NO2.ClH/c1-5-8-9-11(4)10-12(6-2)13(14(16)17)15-7-3;/h5,11-13,15H,1,6-10H2,2-4H3,(H,16,17);1H/t11?,12-,13?;/m1./s1.
What are the key properties of (3R)-3-ethyl-2-(ethylamino)-5-methylnon-8-enoic acid;hydrochloride?
(3R)-3-ethyl-2-(ethylamino)-5-methylnon-8-enoic acid;hydrochloride has a molecular weight of 277.84 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-2-(ethylamino)-5-methylnon-8-enoic acid;hydrochloride is sourced from PubChem (CID 122613877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).