4-(dihexylamino)-2-methylidenebutanoic acid

C17H33NO2 — CID 54357423

IUPAC4-(dihexylamino)-2-methylidenebutanoic acid
SMILESC=C(CCN(CCCCCC)CCCCCC)C(=O)O
InChIInChI=1S/C17H33NO2/c1-4-6-8-10-13-18(14-11-9-7-5-2)15-12-16(3)17(19)20/h3-15H2,1-2H3,(H,19,20)
InChIKeyUKCAZLQHEHLLAR-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.48
Rot. Bonds14

About 4-(dihexylamino)-2-methylidenebutanoic acid

4-(dihexylamino)-2-methylidenebutanoic acid (PubChem CID 54357423) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-(dihexylamino)-2-methylidenebutanoic acid.

Molecular Properties

Compound Name4-(dihexylamino)-2-methylidenebutanoic acid
PubChem CID54357423
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name4-(dihexylamino)-2-methylidenebutanoic acid
SMILESC=C(CCN(CCCCCC)CCCCCC)C(=O)O
InChIInChI=1S/C17H33NO2/c1-4-6-8-10-13-18(14-11-9-7-5-2)15-12-16(3)17(19)20/h3-15H2,1-2H3,(H,19,20)
InChIKeyUKCAZLQHEHLLAR-UHFFFAOYSA-N
XLogP4.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
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

5-(dioctylamino)-2-methylidenepentanoic acid
CID 22725816
2-[(diheptylamino)methyl]prop-2-enoic acid
CID 87504555
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
14-(diethylamino)-2-methylidenetetradecanoic acid
CID 54053311
4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid
CID 87949068
ethane;2-methylidenehexanoic acid
CID 162072915
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
carbonic acid;N,N-dipentylpentan-1-amine
CID 157318586
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
4-(didodecylamino)butanoic acid
CID 101313875

Frequently Asked Questions

What is the IUPAC name of 4-(dihexylamino)-2-methylidenebutanoic acid?
The IUPAC name of 4-(dihexylamino)-2-methylidenebutanoic acid (CID 54357423) is 4-(dihexylamino)-2-methylidenebutanoic acid.
What is the SMILES notation for 4-(dihexylamino)-2-methylidenebutanoic acid?
The canonical SMILES for 4-(dihexylamino)-2-methylidenebutanoic acid is C=C(CCN(CCCCCC)CCCCCC)C(=O)O.
What is the InChIKey of 4-(dihexylamino)-2-methylidenebutanoic acid?
The InChIKey is UKCAZLQHEHLLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-6-8-10-13-18(14-11-9-7-5-2)15-12-16(3)17(19)20/h3-15H2,1-2H3,(H,19,20).
What are the key properties of 4-(dihexylamino)-2-methylidenebutanoic acid?
4-(dihexylamino)-2-methylidenebutanoic acid has a molecular weight of 283.46 g/mol, XLogP of 4.48, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dihexylamino)-2-methylidenebutanoic acid is sourced from PubChem (CID 54357423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).