2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid

C16H32N2O3 — CID 63691583

IUPAC2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid
SMILESCCOCCN(CC)CCCCC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C16H32N2O3/c1-4-18(12-13-21-5-2)11-7-6-10-16(3,15(19)20)17-14-8-9-14/h14,17H,4-13H2,1-3H3,(H,19,20)
InChIKeyPGKKUOJYEKMQCZ-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.11
Rot. Bonds13

About 2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid

2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid (PubChem CID 63691583) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid
PubChem CID63691583
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid
SMILESCCOCCN(CC)CCCCC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C16H32N2O3/c1-4-18(12-13-21-5-2)11-7-6-10-16(3,15(19)20)17-14-8-9-14/h14,17H,4-13H2,1-3H3,(H,19,20)
InChIKeyPGKKUOJYEKMQCZ-UHFFFAOYSA-N
XLogP2.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid?
The IUPAC name of 2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid (CID 63691583) is 2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid is CCOCCN(CC)CCCCC(C)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid?
The InChIKey is PGKKUOJYEKMQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-4-18(12-13-21-5-2)11-7-6-10-16(3,15(19)20)17-14-8-9-14/h14,17H,4-13H2,1-3H3,(H,19,20).
What are the key properties of 2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid?
2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid has a molecular weight of 300.44 g/mol, XLogP of 2.11, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid is sourced from PubChem (CID 63691583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).