6-(butylamino)-2-methylidenehexanoic acid

C11H21NO2 — CID 87105926

IUPAC6-(butylamino)-2-methylidenehexanoic acid
SMILESC=C(CCCCNCCCC)C(=O)O
InChIInChI=1S/C11H21NO2/c1-3-4-8-12-9-6-5-7-10(2)11(13)14/h12H,2-9H2,1H3,(H,13,14)
InChIKeyJUKIHDFSXWRAQF-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.19
Rot. Bonds9

About 6-(butylamino)-2-methylidenehexanoic acid

6-(butylamino)-2-methylidenehexanoic acid (PubChem CID 87105926) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 6-(butylamino)-2-methylidenehexanoic acid.

Molecular Properties

Compound Name6-(butylamino)-2-methylidenehexanoic acid
PubChem CID87105926
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name6-(butylamino)-2-methylidenehexanoic acid
SMILESC=C(CCCCNCCCC)C(=O)O
InChIInChI=1S/C11H21NO2/c1-3-4-8-12-9-6-5-7-10(2)11(13)14/h12H,2-9H2,1H3,(H,13,14)
InChIKeyJUKIHDFSXWRAQF-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.19
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

6-[(4-Methyl-2-methylidenepentanoyl)amino]hexanoic acid
CID 12769070
2-Methylidene-5-(propylamino)hexanoic acid
CID 17819258
6-(Diethylamino)-2-methylidenehexanoic acid
CID 17973851
6-(Dibutylamino)-2-methylidenehexanoic acid
CID 18414867
7-(Diethylamino)-2-methylideneheptanoic acid
CID 18414877
6-(2-Aminoethylamino)-2-methylidenehexanoic acid
CID 18955824
6-(Dimethylamino)-2-methylidenehexanoic acid
CID 18997292
7-(Tert-butylamino)-2-methylideneheptanoic acid
CID 19032226
6-Amino-2-methylidenehexanoic acid
CID 19370111
4-(Hexan-2-ylamino)-2-methylidenebutanoic acid
CID 19426174
2-Methylidene-5-(octylamino)pentanoic acid
CID 20156792
7-(Hexylamino)-2-methylideneheptanoic acid
CID 20156796

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-2-methylidenehexanoic acid?
The IUPAC name of 6-(butylamino)-2-methylidenehexanoic acid (CID 87105926) is 6-(butylamino)-2-methylidenehexanoic acid.
What is the SMILES notation for 6-(butylamino)-2-methylidenehexanoic acid?
The canonical SMILES for 6-(butylamino)-2-methylidenehexanoic acid is C=C(CCCCNCCCC)C(=O)O.
What is the InChIKey of 6-(butylamino)-2-methylidenehexanoic acid?
The InChIKey is JUKIHDFSXWRAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-8-12-9-6-5-7-10(2)11(13)14/h12H,2-9H2,1H3,(H,13,14).
What are the key properties of 6-(butylamino)-2-methylidenehexanoic acid?
6-(butylamino)-2-methylidenehexanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-2-methylidenehexanoic acid is sourced from PubChem (CID 87105926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).