tert-butyl 3-(4-cyclohexylbutylamino)butanoate

C18H35NO2 — CID 159078132

IUPACtert-butyl 3-(4-cyclohexylbutylamino)butanoate
SMILESCC(CC(=O)OC(C)(C)C)NCCCCC1CCCCC1
InChIInChI=1S/C18H35NO2/c1-15(14-17(20)21-18(2,3)4)19-13-9-8-12-16-10-6-5-7-11-16/h15-16,19H,5-14H2,1-4H3
InChIKeyPEZXVARETLURPG-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.45
Rot. Bonds8

About tert-butyl 3-(4-cyclohexylbutylamino)butanoate

tert-butyl 3-(4-cyclohexylbutylamino)butanoate (PubChem CID 159078132) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is tert-butyl 3-(4-cyclohexylbutylamino)butanoate.

Molecular Properties

Compound Nametert-butyl 3-(4-cyclohexylbutylamino)butanoate
PubChem CID159078132
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Nametert-butyl 3-(4-cyclohexylbutylamino)butanoate
SMILESCC(CC(=O)OC(C)(C)C)NCCCCC1CCCCC1
InChIInChI=1S/C18H35NO2/c1-15(14-17(20)21-18(2,3)4)19-13-9-8-12-16-10-6-5-7-11-16/h15-16,19H,5-14H2,1-4H3
InChIKeyPEZXVARETLURPG-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R)-3-(cyclohexylamino)butanoate
CID 157049067
tert-butyl (3R)-6-cyclohexyl-3-ethylhexanoate
CID 173240680
tert-butyl 2-(2-cyclohexylethylamino)acetate
CID 60920745
tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate
CID 103781099
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535
methyl 3-(cyclopentylmethylamino)butanoate
CID 43536965
2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid
CID 87341796
tert-butyl 3-(1-cyclohexylethylamino)propanoate
CID 103729841
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate
CID 81386235
tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate
CID 91223647
3-(2-cyclopentylethylamino)-N,N-dimethylbutanamide
CID 115708191

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-cyclohexylbutylamino)butanoate?
The IUPAC name of tert-butyl 3-(4-cyclohexylbutylamino)butanoate (CID 159078132) is tert-butyl 3-(4-cyclohexylbutylamino)butanoate.
What is the SMILES notation for tert-butyl 3-(4-cyclohexylbutylamino)butanoate?
The canonical SMILES for tert-butyl 3-(4-cyclohexylbutylamino)butanoate is CC(CC(=O)OC(C)(C)C)NCCCCC1CCCCC1.
What is the InChIKey of tert-butyl 3-(4-cyclohexylbutylamino)butanoate?
The InChIKey is PEZXVARETLURPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-15(14-17(20)21-18(2,3)4)19-13-9-8-12-16-10-6-5-7-11-16/h15-16,19H,5-14H2,1-4H3.
What are the key properties of tert-butyl 3-(4-cyclohexylbutylamino)butanoate?
tert-butyl 3-(4-cyclohexylbutylamino)butanoate has a molecular weight of 297.48 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-cyclohexylbutylamino)butanoate is sourced from PubChem (CID 159078132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).