6-(ethylamino)-2-methylidenehexanoic acid

C9H17NO2 — CID 22731125

IUPAC6-(ethylamino)-2-methylidenehexanoic acid
SMILESC=C(CCCCNCC)C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-10-7-5-4-6-8(2)9(11)12/h10H,2-7H2,1H3,(H,11,12)
InChIKeyDFDHAHUSXGNBPM-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.41
Rot. Bonds7

About 6-(ethylamino)-2-methylidenehexanoic acid

6-(ethylamino)-2-methylidenehexanoic acid (PubChem CID 22731125) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 6-(ethylamino)-2-methylidenehexanoic acid.

Molecular Properties

Compound Name6-(ethylamino)-2-methylidenehexanoic acid
PubChem CID22731125
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name6-(ethylamino)-2-methylidenehexanoic acid
SMILESC=C(CCCCNCC)C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-10-7-5-4-6-8(2)9(11)12/h10H,2-7H2,1H3,(H,11,12)
InChIKeyDFDHAHUSXGNBPM-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylidene-6-(propylamino)hexanoic acid
CID 22266622
7-(butylamino)-2-methylideneheptanoic acid
CID 88729465
7-(methylamino)-2-methylideneheptanoic acid
CID 118649610
10-(ethylamino)decanoic acid
CID 57308942
2,11-dimethylidenedodecanedioic acid
CID 20542368
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
5-(3-hydroxypropylamino)-2-methylidenepentanoic acid
CID 87162981
2-methylidenehexanoic acid;zinc
CID 174824467
8-(ethylamino)octan-2-one
CID 170584616
magnesium;hydride;2-methylideneheptanoic acid
CID 174921756
ethane;2-methylidenehexanoic acid
CID 162072915
2-methylidene-7-oxooctanoic acid
CID 87625234

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-2-methylidenehexanoic acid?
The IUPAC name of 6-(ethylamino)-2-methylidenehexanoic acid (CID 22731125) is 6-(ethylamino)-2-methylidenehexanoic acid.
What is the SMILES notation for 6-(ethylamino)-2-methylidenehexanoic acid?
The canonical SMILES for 6-(ethylamino)-2-methylidenehexanoic acid is C=C(CCCCNCC)C(=O)O.
What is the InChIKey of 6-(ethylamino)-2-methylidenehexanoic acid?
The InChIKey is DFDHAHUSXGNBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-10-7-5-4-6-8(2)9(11)12/h10H,2-7H2,1H3,(H,11,12).
What are the key properties of 6-(ethylamino)-2-methylidenehexanoic acid?
6-(ethylamino)-2-methylidenehexanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-2-methylidenehexanoic acid is sourced from PubChem (CID 22731125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).