(2-ethylcyclohexyl) 5-amino-2-methylpentanoate

C14H27NO2 — CID 104686005

IUPAC(2-ethylcyclohexyl) 5-amino-2-methylpentanoate
SMILESCCC1CCCCC1OC(=O)C(C)CCCN
InChIInChI=1S/C14H27NO2/c1-3-12-8-4-5-9-13(12)17-14(16)11(2)7-6-10-15/h11-13H,3-10,15H2,1-2H3
InChIKeyAGNLHKRBKSTVEG-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.87
Rot. Bonds6

About (2-ethylcyclohexyl) 5-amino-2-methylpentanoate

(2-ethylcyclohexyl) 5-amino-2-methylpentanoate (PubChem CID 104686005) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 5-amino-2-methylpentanoate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 5-amino-2-methylpentanoate
PubChem CID104686005
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(2-ethylcyclohexyl) 5-amino-2-methylpentanoate
SMILESCCC1CCCCC1OC(=O)C(C)CCCN
InChIInChI=1S/C14H27NO2/c1-3-12-8-4-5-9-13(12)17-14(16)11(2)7-6-10-15/h11-13H,3-10,15H2,1-2H3
InChIKeyAGNLHKRBKSTVEG-UHFFFAOYSA-N
XLogP2.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate
CID 61277251
(2-ethylcyclohexyl) 2-amino-3-methylbutanoate
CID 61277440
(2-ethylcyclohexyl) 2-aminopropanoate
CID 61277036
(2-ethylcyclohexyl) 3-amino-2-methoxypropanoate
CID 106109472
(2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate
CID 113311275
(5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate
CID 104686009
3-(2-ethylcyclohexyl)oxybutan-1-amine
CID 114995089
oxolan-3-yl 5-amino-2-methylpentanoate
CID 104686034
methyl (2S)-5-amino-2-methylpentanoate
CID 88555940
(2-ethylcyclohexyl) 3-sulfanylpropanoate
CID 107018376
5-amino-N-(cyclohexylmethyl)-2-methylpentanamide
CID 104683632
oxan-4-ylmethyl 5-amino-2-methylpentanoate
CID 104686033

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 5-amino-2-methylpentanoate?
The IUPAC name of (2-ethylcyclohexyl) 5-amino-2-methylpentanoate (CID 104686005) is (2-ethylcyclohexyl) 5-amino-2-methylpentanoate.
What is the SMILES notation for (2-ethylcyclohexyl) 5-amino-2-methylpentanoate?
The canonical SMILES for (2-ethylcyclohexyl) 5-amino-2-methylpentanoate is CCC1CCCCC1OC(=O)C(C)CCCN.
What is the InChIKey of (2-ethylcyclohexyl) 5-amino-2-methylpentanoate?
The InChIKey is AGNLHKRBKSTVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-12-8-4-5-9-13(12)17-14(16)11(2)7-6-10-15/h11-13H,3-10,15H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl) 5-amino-2-methylpentanoate?
(2-ethylcyclohexyl) 5-amino-2-methylpentanoate has a molecular weight of 241.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 5-amino-2-methylpentanoate is sourced from PubChem (CID 104686005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).