tert-butyl 3-[(4-methylcyclohexyl)amino]propanoate

C14H27NO2 — CID 103268828

IUPACtert-butyl 3-[(4-methylcyclohexyl)amino]propanoate
SMILESCC1CCC(NCCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-11-5-7-12(8-6-11)15-10-9-13(16)17-14(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyKPYJPZIKVGNAPE-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.89
Rot. Bonds4

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

tert-butyl 3-[(4-methylcyclohexyl)amino]propanoate (PubChem CID 103268828) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl 3-[(4-methylcyclohexyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(4-methylcyclohexyl)amino]propanoate
PubChem CID103268828
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl 3-[(4-methylcyclohexyl)amino]propanoate
SMILESCC1CCC(NCCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-11-5-7-12(8-6-11)15-10-9-13(16)17-14(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyKPYJPZIKVGNAPE-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate
CID 113243263
tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate
CID 113243262
tert-butyl 3-[(1-oxothian-4-yl)amino]propanoate
CID 103264896
tert-butyl N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351
tert-butyl 3-[2-(4-methylcyclohexyl)ethylamino]propanoate
CID 103252764
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
tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103698952
tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate
CID 103249866
tert-butyl 2-[(3-methylcyclopentyl)amino]acetate
CID 58369136
tert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate
CID 103699070
methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate
CID 43139776

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-methylcyclohexyl)amino]propanoate?
The IUPAC name of tert-butyl 3-[(4-methylcyclohexyl)amino]propanoate (CID 103268828) is tert-butyl 3-[(4-methylcyclohexyl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[(4-methylcyclohexyl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[(4-methylcyclohexyl)amino]propanoate is CC1CCC(NCCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 3-[(4-methylcyclohexyl)amino]propanoate?
The InChIKey is KPYJPZIKVGNAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11-5-7-12(8-6-11)15-10-9-13(16)17-14(2,3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of tert-butyl 3-[(4-methylcyclohexyl)amino]propanoate?
tert-butyl 3-[(4-methylcyclohexyl)amino]propanoate has a molecular weight of 241.37 g/mol, XLogP of 2.89, 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-methylcyclohexyl)amino]propanoate is sourced from PubChem (CID 103268828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).