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

C17H32N2O2 — CID 107401160

IUPAC6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid
SMILESCCN(CCCCC(C)(NC1CC1)C(=O)O)CC1CCC1
InChIInChI=1S/C17H32N2O2/c1-3-19(13-14-7-6-8-14)12-5-4-11-17(2,16(20)21)18-15-9-10-15/h14-15,18H,3-13H2,1-2H3,(H,20,21)
InChIKeyLOTQZMTXWBNGJI-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.87
Rot. Bonds11

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

6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid (PubChem CID 107401160) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid.

Molecular Properties

Compound Name6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid
PubChem CID107401160
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid
SMILESCCN(CCCCC(C)(NC1CC1)C(=O)O)CC1CCC1
InChIInChI=1S/C17H32N2O2/c1-3-19(13-14-7-6-8-14)12-5-4-11-17(2,16(20)21)18-15-9-10-15/h14-15,18H,3-13H2,1-2H3,(H,20,21)
InChIKeyLOTQZMTXWBNGJI-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid
CID 63954259
5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107401112
2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 63954453
2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid
CID 63691583
2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid
CID 64521035
ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate
CID 107401126
4-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylbutanoic acid
CID 55249059
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid
CID 107401133
5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63955670
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 107402539
methyl 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanoate
CID 62861406
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 107401068

Frequently Asked Questions

What is the IUPAC name of 6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid?
The IUPAC name of 6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid (CID 107401160) is 6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid.
What is the SMILES notation for 6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid?
The canonical SMILES for 6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid is CCN(CCCCC(C)(NC1CC1)C(=O)O)CC1CCC1.
What is the InChIKey of 6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid?
The InChIKey is LOTQZMTXWBNGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-19(13-14-7-6-8-14)12-5-4-11-17(2,16(20)21)18-15-9-10-15/h14-15,18H,3-13H2,1-2H3,(H,20,21).
What are the key properties of 6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid?
6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid has a molecular weight of 296.45 g/mol, XLogP of 2.87, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid is sourced from PubChem (CID 107401160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).