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

C16H31NO2 — CID 113243263

IUPACtert-butyl 3-[(4-propylcyclohexyl)amino]propanoate
SMILESCCCC1CCC(NCCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-5-6-13-7-9-14(10-8-13)17-12-11-15(18)19-16(2,3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyNEDIUMQLZRUVOZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.67
Rot. Bonds6

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

tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate (PubChem CID 113243263) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(4-propylcyclohexyl)amino]propanoate
PubChem CID113243263
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Nametert-butyl 3-[(4-propylcyclohexyl)amino]propanoate
SMILESCCCC1CCC(NCCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-5-6-13-7-9-14(10-8-13)17-12-11-15(18)19-16(2,3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyNEDIUMQLZRUVOZ-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.67
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-[(4,4-dimethylcyclohexyl)amino]propanoate
CID 113243262
tert-butyl 3-[(1-oxothian-4-yl)amino]propanoate
CID 103264896
tert-butyl 3-[2-(4-methylcyclohexyl)ethylamino]propanoate
CID 103252764
tert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate
CID 107242772
3-[(4-propylcycloheptyl)amino]propanamide
CID 65086939
tert-butyl 3-[[4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]amino]propanoate
CID 138712115
methyl 4-[(4-propylcycloheptyl)amino]butanoate
CID 65091252
tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate
CID 107245484
tert-butyl 3-(4-ethylcyclohexyl)propanoate
CID 58103664
tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate
CID 103960953
tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate
CID 103249866

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate?
The IUPAC name of tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate (CID 113243263) is tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate is CCCC1CCC(NCCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate?
The InChIKey is NEDIUMQLZRUVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-6-13-7-9-14(10-8-13)17-12-11-15(18)19-16(2,3)4/h13-14,17H,5-12H2,1-4H3.
What are the key properties of tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate?
tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate has a molecular weight of 269.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate is sourced from PubChem (CID 113243263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).