3-cyclohexylpentan-3-yl 2-aminobutanoate

C15H29NO2 — CID 144561282

IUPAC3-cyclohexylpentan-3-yl 2-aminobutanoate
SMILESCCC(N)C(=O)OC(CC)(CC)C1CCCCC1
InChIInChI=1S/C15H29NO2/c1-4-13(16)14(17)18-15(5-2,6-3)12-10-8-7-9-11-12/h12-13H,4-11,16H2,1-3H3
InChIKeyLORGMFUZBJMOGS-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.41
Rot. Bonds6

About 3-cyclohexylpentan-3-yl 2-aminobutanoate

3-cyclohexylpentan-3-yl 2-aminobutanoate (PubChem CID 144561282) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-cyclohexylpentan-3-yl 2-aminobutanoate.

Molecular Properties

Compound Name3-cyclohexylpentan-3-yl 2-aminobutanoate
PubChem CID144561282
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3-cyclohexylpentan-3-yl 2-aminobutanoate
SMILESCCC(N)C(=O)OC(CC)(CC)C1CCCCC1
InChIInChI=1S/C15H29NO2/c1-4-13(16)14(17)18-15(5-2,6-3)12-10-8-7-9-11-12/h12-13H,4-11,16H2,1-3H3
InChIKeyLORGMFUZBJMOGS-UHFFFAOYSA-N
XLogP3.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylpentan-3-yl 2-aminobutanoate?
The IUPAC name of 3-cyclohexylpentan-3-yl 2-aminobutanoate (CID 144561282) is 3-cyclohexylpentan-3-yl 2-aminobutanoate.
What is the SMILES notation for 3-cyclohexylpentan-3-yl 2-aminobutanoate?
The canonical SMILES for 3-cyclohexylpentan-3-yl 2-aminobutanoate is CCC(N)C(=O)OC(CC)(CC)C1CCCCC1.
What is the InChIKey of 3-cyclohexylpentan-3-yl 2-aminobutanoate?
The InChIKey is LORGMFUZBJMOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-13(16)14(17)18-15(5-2,6-3)12-10-8-7-9-11-12/h12-13H,4-11,16H2,1-3H3.
What are the key properties of 3-cyclohexylpentan-3-yl 2-aminobutanoate?
3-cyclohexylpentan-3-yl 2-aminobutanoate has a molecular weight of 255.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpentan-3-yl 2-aminobutanoate is sourced from PubChem (CID 144561282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).