(2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid

C14H27NO2 — CID 57350778

IUPAC(2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid
SMILESCCN[C@@H](CCCCC1CCCCC1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-2-15-13(14(16)17)11-7-6-10-12-8-4-3-5-9-12/h12-13,15H,2-11H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyWJERFZAOEDSJNV-ZDUSSCGKSA-N
MW241.37 g/mol
LogP3.19
Rot. Bonds8

About (2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid

(2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid (PubChem CID 57350778) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid
PubChem CID57350778
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid
SMILESCCN[C@@H](CCCCC1CCCCC1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-2-15-13(14(16)17)11-7-6-10-12-8-4-3-5-9-12/h12-13,15H,2-11H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyWJERFZAOEDSJNV-ZDUSSCGKSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.19
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

2-(2-cyclohexylethylamino)hexanoic acid
CID 103240091
4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid
CID 63034967
2-(4-cyclohexylbutanoylamino)hexanoic acid
CID 43387726
2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108
7-cyclohexyl-N-ethyl-2-methylheptan-3-amine
CID 114192943
(2R)-11-cycloheptyl-2-hydroxyundecanoic acid
CID 101288409
2-chloro-14-cyclohexyltetradecanoic acid
CID 174341935
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704
4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid
CID 63027278
2-(ethylamino)hexanedioic acid
CID 88869975
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
(2S)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 171702983

Frequently Asked Questions

What is the IUPAC name of (2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid?
The IUPAC name of (2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid (CID 57350778) is (2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid?
The canonical SMILES for (2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid is CCN[C@@H](CCCCC1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid?
The InChIKey is WJERFZAOEDSJNV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-15-13(14(16)17)11-7-6-10-12-8-4-3-5-9-12/h12-13,15H,2-11H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid?
(2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid is sourced from PubChem (CID 57350778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).