3-cyclohexylpentan-3-yl 2-aminobutanoate;ethane

C17H35NO2 — CID 144561281

IUPAC3-cyclohexylpentan-3-yl 2-aminobutanoate;ethane
SMILESCC.CCC(N)C(=O)OC(CC)(CC)C1CCCCC1
InChIInChI=1S/C15H29NO2.C2H6/c1-4-13(16)14(17)18-15(5-2,6-3)12-10-8-7-9-11-12;1-2/h12-13H,4-11,16H2,1-3H3;1-2H3
InChIKeyBNLSVOSZAZSJON-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.43
Rot. Bonds6

About 3-cyclohexylpentan-3-yl 2-aminobutanoate;ethane

3-cyclohexylpentan-3-yl 2-aminobutanoate;ethane (PubChem CID 144561281) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 3-cyclohexylpentan-3-yl 2-aminobutanoate;ethane.

Molecular Properties

Compound Name3-cyclohexylpentan-3-yl 2-aminobutanoate;ethane
PubChem CID144561281
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name3-cyclohexylpentan-3-yl 2-aminobutanoate;ethane
SMILESCC.CCC(N)C(=O)OC(CC)(CC)C1CCCCC1
InChIInChI=1S/C15H29NO2.C2H6/c1-4-13(16)14(17)18-15(5-2,6-3)12-10-8-7-9-11-12;1-2/h12-13H,4-11,16H2,1-3H3;1-2H3
InChIKeyBNLSVOSZAZSJON-UHFFFAOYSA-N
XLogP4.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.43
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;ethane?
The IUPAC name of 3-cyclohexylpentan-3-yl 2-aminobutanoate;ethane (CID 144561281) is 3-cyclohexylpentan-3-yl 2-aminobutanoate;ethane.
What is the SMILES notation for 3-cyclohexylpentan-3-yl 2-aminobutanoate;ethane?
The canonical SMILES for 3-cyclohexylpentan-3-yl 2-aminobutanoate;ethane is CC.CCC(N)C(=O)OC(CC)(CC)C1CCCCC1.
What is the InChIKey of 3-cyclohexylpentan-3-yl 2-aminobutanoate;ethane?
The InChIKey is BNLSVOSZAZSJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2.C2H6/c1-4-13(16)14(17)18-15(5-2,6-3)12-10-8-7-9-11-12;1-2/h12-13H,4-11,16H2,1-3H3;1-2H3.
What are the key properties of 3-cyclohexylpentan-3-yl 2-aminobutanoate;ethane?
3-cyclohexylpentan-3-yl 2-aminobutanoate;ethane has a molecular weight of 285.47 g/mol, XLogP of 4.43, 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;ethane is sourced from PubChem (CID 144561281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).