3-cyclohexylpentan-3-yl 4-amino-2-ethyl-2,4-dimethylpentanoate

C20H39NO2 — CID 123963982

IUPAC3-cyclohexylpentan-3-yl 4-amino-2-ethyl-2,4-dimethylpentanoate
SMILESCCC(C)(CC(C)(C)N)C(=O)OC(CC)(CC)C1CCCCC1
InChIInChI=1S/C20H39NO2/c1-7-19(6,15-18(4,5)21)17(22)23-20(8-2,9-3)16-13-11-10-12-14-16/h16H,7-15,21H2,1-6H3
InChIKeyQTJPZHFIUYXZQC-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.21
Rot. Bonds8

About 3-cyclohexylpentan-3-yl 4-amino-2-ethyl-2,4-dimethylpentanoate

3-cyclohexylpentan-3-yl 4-amino-2-ethyl-2,4-dimethylpentanoate (PubChem CID 123963982) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is 3-cyclohexylpentan-3-yl 4-amino-2-ethyl-2,4-dimethylpentanoate.

Molecular Properties

Compound Name3-cyclohexylpentan-3-yl 4-amino-2-ethyl-2,4-dimethylpentanoate
PubChem CID123963982
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name3-cyclohexylpentan-3-yl 4-amino-2-ethyl-2,4-dimethylpentanoate
SMILESCCC(C)(CC(C)(C)N)C(=O)OC(CC)(CC)C1CCCCC1
InChIInChI=1S/C20H39NO2/c1-7-19(6,15-18(4,5)21)17(22)23-20(8-2,9-3)16-13-11-10-12-14-16/h16H,7-15,21H2,1-6H3
InChIKeyQTJPZHFIUYXZQC-UHFFFAOYSA-N
XLogP5.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexylpentan-3-yl 4-amino-2-ethyl-2,4-dimethylpentanoate with MolForge

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Launch Full Analysis

Related Compounds

2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate
CID 144518122
1-O,2-O-ditert-butyl 4-O-cyclohexyl 2,4-dimethylhexane-1,2,4-tricarboxylate
CID 22944820
tert-butyl 2,2-diamino-2-cyclohexylacetate
CID 70137368
2-cyclohexylpropan-2-yl 2-tert-butyl-2-methylpentanoate
CID 123782316
3-cyclohexylpentan-3-yl 2-(2-methylprop-2-enoyloxy)butanoate
CID 67522933
2-cyclooctylbutan-2-yl acetate
CID 177097469
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 123134609
(3R)-3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 175307569
[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2-tert-butyl-2,4,4-trimethylpentanoate
CID 91322686
(2S)-2-amino-2-cyclohexylbutanamide
CID 67737232
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
CID 69435032

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylpentan-3-yl 4-amino-2-ethyl-2,4-dimethylpentanoate?
The IUPAC name of 3-cyclohexylpentan-3-yl 4-amino-2-ethyl-2,4-dimethylpentanoate (CID 123963982) is 3-cyclohexylpentan-3-yl 4-amino-2-ethyl-2,4-dimethylpentanoate.
What is the SMILES notation for 3-cyclohexylpentan-3-yl 4-amino-2-ethyl-2,4-dimethylpentanoate?
The canonical SMILES for 3-cyclohexylpentan-3-yl 4-amino-2-ethyl-2,4-dimethylpentanoate is CCC(C)(CC(C)(C)N)C(=O)OC(CC)(CC)C1CCCCC1.
What is the InChIKey of 3-cyclohexylpentan-3-yl 4-amino-2-ethyl-2,4-dimethylpentanoate?
The InChIKey is QTJPZHFIUYXZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-7-19(6,15-18(4,5)21)17(22)23-20(8-2,9-3)16-13-11-10-12-14-16/h16H,7-15,21H2,1-6H3.
What are the key properties of 3-cyclohexylpentan-3-yl 4-amino-2-ethyl-2,4-dimethylpentanoate?
3-cyclohexylpentan-3-yl 4-amino-2-ethyl-2,4-dimethylpentanoate has a molecular weight of 325.54 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpentan-3-yl 4-amino-2-ethyl-2,4-dimethylpentanoate is sourced from PubChem (CID 123963982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).