tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate

C14H28N2O3 — CID 106396997

IUPACtert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate
SMILESC=CCCOCCNC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-6-7-9-18-10-8-15-12(2)11-16-13(17)19-14(3,4)5/h6,12,15H,1,7-11H2,2-5H3,(H,16,17)
InChIKeyVSYBHBAGLHQAIN-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.08
Rot. Bonds9

About tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate

tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate (PubChem CID 106396997) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate
PubChem CID106396997
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate
SMILESC=CCCOCCNC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-6-7-9-18-10-8-15-12(2)11-16-13(17)19-14(3,4)5/h6,12,15H,1,7-11H2,2-5H3,(H,16,17)
InChIKeyVSYBHBAGLHQAIN-UHFFFAOYSA-N
XLogP2.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate
CID 103389692
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
3-(2-but-3-enoxyethylamino)butanamide
CID 115896708
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
methyl 3-(2-but-3-enoxyethylamino)butanoate
CID 103952227
tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate
CID 103390957
tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
CID 103389896
ethyl 3-(2-but-3-enoxyethylamino)butanoate
CID 106401724
tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate
CID 103390998
tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate
CID 103389977
tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate
CID 103387621
tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
CID 103389833

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate (CID 106396997) is tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate is C=CCCOCCNC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate?
The InChIKey is VSYBHBAGLHQAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-7-9-18-10-8-15-12(2)11-16-13(17)19-14(3,4)5/h6,12,15H,1,7-11H2,2-5H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate?
tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate is sourced from PubChem (CID 106396997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).