2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate

C14H27NO2 — CID 170283768

IUPAC2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate
SMILESCC(C)COC(=O)C(C)CNC1CCCCC1
InChIInChI=1S/C14H27NO2/c1-11(2)10-17-14(16)12(3)9-15-13-7-5-4-6-8-13/h11-13,15H,4-10H2,1-3H3
InChIKeyTXFXUHJNUJYZMI-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.74
Rot. Bonds6

About 2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate

2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate (PubChem CID 170283768) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate.

Molecular Properties

Compound Name2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate
PubChem CID170283768
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate
SMILESCC(C)COC(=O)C(C)CNC1CCCCC1
InChIInChI=1S/C14H27NO2/c1-11(2)10-17-14(16)12(3)9-15-13-7-5-4-6-8-13/h11-13,15H,4-10H2,1-3H3
InChIKeyTXFXUHJNUJYZMI-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate
CID 68737349
ethyl 3-(cyclobutylamino)-2-methylpropanoate
CID 62415345
bis(2-methylpropyl) 2-(1-cyclohexylethyl)propanedioate
CID 118088624
methanol;N-(2-methylpropyl)cyclopentanamine
CID 166557930
1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60635542
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
methyl 2-chloro-3-(cycloheptylamino)propanoate
CID 103491892
methyl 2-chloro-3-(cyclohexylamino)propanoate
CID 103845864
1-(cycloheptylamino)propan-2-ol
CID 43392225
1-(cyclooctylamino)propan-2-ol
CID 20539535
2-methylpropyl N-(1,2-diazacyclopentadecen-6-yl)carbamate
CID 141404608
2-amino-3-(cycloheptylamino)propanamide
CID 103237250

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate?
The IUPAC name of 2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate (CID 170283768) is 2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate.
What is the SMILES notation for 2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate?
The canonical SMILES for 2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate is CC(C)COC(=O)C(C)CNC1CCCCC1.
What is the InChIKey of 2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate?
The InChIKey is TXFXUHJNUJYZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)10-17-14(16)12(3)9-15-13-7-5-4-6-8-13/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate?
2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate has a molecular weight of 241.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate is sourced from PubChem (CID 170283768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).