tert-butyl 2-(decylamino)decanoate

C24H49NO2 — CID 151255865

IUPACtert-butyl 2-(decylamino)decanoate
SMILESCCCCCCCCCCNC(CCCCCCCC)C(=O)OC(C)(C)C
InChIInChI=1S/C24H49NO2/c1-6-8-10-12-14-15-17-19-21-25-22(23(26)27-24(3,4)5)20-18-16-13-11-9-7-2/h22,25H,6-21H2,1-5H3
InChIKeyNTHQCQVATAQHPV-UHFFFAOYSA-N
MW383.66 g/mol
LogP7.18
Rot. Bonds18

About tert-butyl 2-(decylamino)decanoate

tert-butyl 2-(decylamino)decanoate (PubChem CID 151255865) has the molecular formula C24H49NO2 and a molecular weight of 383.66 g/mol. Its IUPAC name is tert-butyl 2-(decylamino)decanoate.

Molecular Properties

Compound Nametert-butyl 2-(decylamino)decanoate
PubChem CID151255865
Molecular FormulaC24H49NO2
Molecular Weight383.66 g/mol
Exact Mass383.38
IUPAC Nametert-butyl 2-(decylamino)decanoate
SMILESCCCCCCCCCCNC(CCCCCCCC)C(=O)OC(C)(C)C
InChIInChI=1S/C24H49NO2/c1-6-8-10-12-14-15-17-19-21-25-22(23(26)27-24(3,4)5)20-18-16-13-11-9-7-2/h22,25H,6-21H2,1-5H3
InChIKeyNTHQCQVATAQHPV-UHFFFAOYSA-N
XLogP7.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 57.18
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 2-(benzylamino)decanoate
CID 162010682
2-(tridecylamino)octanamide
CID 154123950
methyl 2-(propylamino)octanoate
CID 60795997
tert-butyl 2-butyloctanoate
CID 141041345
2-(pentylamino)octanoic acid
CID 129188286
tert-butyl 2-aminooctadecanoate
CID 85318598
tert-butyl 2-propyldecanoate
CID 141018568
tert-butyl 2,6-bis(methylamino)hexanoate
CID 59397454
tert-butyl (2S)-2-(2-hydroxydodecylamino)-4-methylpentanoate
CID 42638854
tert-butyl 2-ethylnonanoate;ethane
CID 175268802
tert-butyl (2R)-2-bromoundecanoate
CID 139709166
2-[(2-methylpropan-2-yl)oxycarbonyl]icosanoic acid
CID 177254544

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(decylamino)decanoate?
The IUPAC name of tert-butyl 2-(decylamino)decanoate (CID 151255865) is tert-butyl 2-(decylamino)decanoate.
What is the SMILES notation for tert-butyl 2-(decylamino)decanoate?
The canonical SMILES for tert-butyl 2-(decylamino)decanoate is CCCCCCCCCCNC(CCCCCCCC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(decylamino)decanoate?
The InChIKey is NTHQCQVATAQHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO2/c1-6-8-10-12-14-15-17-19-21-25-22(23(26)27-24(3,4)5)20-18-16-13-11-9-7-2/h22,25H,6-21H2,1-5H3.
What are the key properties of tert-butyl 2-(decylamino)decanoate?
tert-butyl 2-(decylamino)decanoate has a molecular weight of 383.66 g/mol, XLogP of 7.18, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(decylamino)decanoate is sourced from PubChem (CID 151255865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).