6-(methylamino)hexanoic acid

C7H15NO2 — CID 4989372

IUPAC6-(methylamino)hexanoic acid
SMILESCNCCCCCC(=O)O
InChIInChI=1S/C7H15NO2/c1-8-6-4-2-3-5-7(9)10/h8H,2-6H2,1H3,(H,9,10)
InChIKeyXRUDAAKPTLVBMB-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.85
Rot. Bonds6

About 6-(methylamino)hexanoic acid

6-(methylamino)hexanoic acid (PubChem CID 4989372) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 6-(methylamino)hexanoic acid.

Molecular Properties

Compound Name6-(methylamino)hexanoic acid
PubChem CID4989372
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name6-(methylamino)hexanoic acid
SMILESCNCCCCCC(=O)O
InChIInChI=1S/C7H15NO2/c1-8-6-4-2-3-5-7(9)10/h8H,2-6H2,1H3,(H,9,10)
InChIKeyXRUDAAKPTLVBMB-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(methylamino)pentanoic acid
CID 91583432
ethane;5-(methylamino)pentanoic acid
CID 178043439
hexanoic acid;N-methyltridecan-1-amine
CID 173175224
Butanoic acid, 4-(methylamino)-, sodium salt (1:1)
CID 162082656
7-[4-(methylamino)butanoylamino]heptanoic acid
CID 61158719
dilithium;hydride;4-(methylamino)butanoic acid
CID 173352430
4-[2-[2-[2-[4-(methylamino)butylamino]ethylamino]ethylamino]ethylamino]butanoic acid
CID 168831569
10-[3-(methylamino)propylamino]-10-oxodecanoic acid
CID 87169049
dibutyltin;bis(6-(methylamino)hexanoic acid)
CID 175286402
disodium;hydride;4-(methylamino)butanoic acid;sulfane
CID 175037506
13-(methylamino)tridecan-2-one
CID 23382037
ethane;10-(methylamino)decan-2-one;molecular hydrogen
CID 164864463

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)hexanoic acid?
The IUPAC name of 6-(methylamino)hexanoic acid (CID 4989372) is 6-(methylamino)hexanoic acid.
What is the SMILES notation for 6-(methylamino)hexanoic acid?
The canonical SMILES for 6-(methylamino)hexanoic acid is CNCCCCCC(=O)O.
What is the InChIKey of 6-(methylamino)hexanoic acid?
The InChIKey is XRUDAAKPTLVBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-8-6-4-2-3-5-7(9)10/h8H,2-6H2,1H3,(H,9,10).
What are the key properties of 6-(methylamino)hexanoic acid?
6-(methylamino)hexanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)hexanoic acid is sourced from PubChem (CID 4989372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).