tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate

C15H29NO2 — CID 113243262

IUPACtert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate
SMILESCC1(C)CCC(NCCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-14(2,3)18-13(17)8-11-16-12-6-9-15(4,5)10-7-12/h12,16H,6-11H2,1-5H3
InChIKeyIAZPPUHBTIAHHW-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.28
Rot. Bonds4

About tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate

tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate (PubChem CID 113243262) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate
PubChem CID113243262
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nametert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate
SMILESCC1(C)CCC(NCCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-14(2,3)18-13(17)8-11-16-12-6-9-15(4,5)10-7-12/h12,16H,6-11H2,1-5H3
InChIKeyIAZPPUHBTIAHHW-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(4-methylcyclohexyl)amino]propanoate
CID 103268828
tert-butyl 3-[(1-oxothian-4-yl)amino]propanoate
CID 103264896
tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate
CID 113243263
tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate
CID 103698950
tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate
CID 107445694
(4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate
CID 114341373
tert-butyl 3-[[4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]amino]propanoate
CID 138712115
tert-butyl 3-[[(1S,2S)-2-methylcyclohexyl]amino]propanoate
CID 94133529
3-[(4,4-dimethylcycloheptyl)amino]propanoic acid
CID 65084019
tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate
CID 103249866
tert-butyl N-[3-[(4,4-dimethylcycloheptyl)amino]propyl]-N-ethylcarbamate
CID 107242640
tert-butyl 3-(1-cyclohexylethylamino)propanoate
CID 103729841

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate?
The IUPAC name of tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate (CID 113243262) is tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate is CC1(C)CCC(NCCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate?
The InChIKey is IAZPPUHBTIAHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2,3)18-13(17)8-11-16-12-6-9-15(4,5)10-7-12/h12,16H,6-11H2,1-5H3.
What are the key properties of tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate?
tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate has a molecular weight of 255.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate is sourced from PubChem (CID 113243262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).