(E)-2-ethyl-6-(methylamino)hex-5-enoic acid

C9H17NO2 — CID 173483010

IUPAC(E)-2-ethyl-6-(methylamino)hex-5-enoic acid
SMILESCCC(CC/C=C/NC)C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-8(9(11)12)6-4-5-7-10-2/h5,7-8,10H,3-4,6H2,1-2H3,(H,11,12)/b7-5+
InChIKeySSURYBMDTISDDF-FNORWQNLSA-N
MW171.24 g/mol
LogP1.61
Rot. Bonds6

About (E)-2-ethyl-6-(methylamino)hex-5-enoic acid

(E)-2-ethyl-6-(methylamino)hex-5-enoic acid (PubChem CID 173483010) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (E)-2-ethyl-6-(methylamino)hex-5-enoic acid.

Molecular Properties

Compound Name(E)-2-ethyl-6-(methylamino)hex-5-enoic acid
PubChem CID173483010
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(E)-2-ethyl-6-(methylamino)hex-5-enoic acid
SMILESCCC(CC/C=C/NC)C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-8(9(11)12)6-4-5-7-10-2/h5,7-8,10H,3-4,6H2,1-2H3,(H,11,12)/b7-5+
InChIKeySSURYBMDTISDDF-FNORWQNLSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylundec-5-enoic acid
CID 169209777
(5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid
CID 175828480
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
2-ethylnon-7-enoic acid
CID 143730555
(E)-2-ethyldodec-6-enoic acid
CID 169209778
2-ethyl-6-sulfanylidenehexanoic acid
CID 91591395
ethane;2-ethylbutanoic acid
CID 142229949
CID 123134376
CID 123134376
CID 87086045
CID 87086045
2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid
CID 65223783
2-ethylhexanoic acid;palladium(2+)
CID 18629949

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-6-(methylamino)hex-5-enoic acid?
The IUPAC name of (E)-2-ethyl-6-(methylamino)hex-5-enoic acid (CID 173483010) is (E)-2-ethyl-6-(methylamino)hex-5-enoic acid.
What is the SMILES notation for (E)-2-ethyl-6-(methylamino)hex-5-enoic acid?
The canonical SMILES for (E)-2-ethyl-6-(methylamino)hex-5-enoic acid is CCC(CC/C=C/NC)C(=O)O.
What is the InChIKey of (E)-2-ethyl-6-(methylamino)hex-5-enoic acid?
The InChIKey is SSURYBMDTISDDF-FNORWQNLSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-8(9(11)12)6-4-5-7-10-2/h5,7-8,10H,3-4,6H2,1-2H3,(H,11,12)/b7-5+.
What are the key properties of (E)-2-ethyl-6-(methylamino)hex-5-enoic acid?
(E)-2-ethyl-6-(methylamino)hex-5-enoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-6-(methylamino)hex-5-enoic acid is sourced from PubChem (CID 173483010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).