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

C16H30N2O3 — CID 106397197

IUPACtert-butyl N-[3-(2-but-3-enoxyethylamino)cyclopentyl]carbamate
SMILESC=CCCOCCNC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-5-6-10-20-11-9-17-13-7-8-14(12-13)18-15(19)21-16(2,3)4/h5,13-14,17H,1,6-12H2,2-4H3,(H,18,19)
InChIKeyRCBOIEKESHEVLP-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.61
Rot. Bonds8

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

tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclopentyl]carbamate (PubChem CID 106397197) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-but-3-enoxyethylamino)cyclopentyl]carbamate
PubChem CID106397197
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[3-(2-but-3-enoxyethylamino)cyclopentyl]carbamate
SMILESC=CCCOCCNC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-5-6-10-20-11-9-17-13-7-8-14(12-13)18-15(19)21-16(2,3)4/h5,13-14,17H,1,6-12H2,2-4H3,(H,18,19)
InChIKeyRCBOIEKESHEVLP-UHFFFAOYSA-N
XLogP2.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.61
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclopentyl]carbamate (CID 106397197) is tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclopentyl]carbamate is C=CCCOCCNC1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclopentyl]carbamate?
The InChIKey is RCBOIEKESHEVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-6-10-20-11-9-17-13-7-8-14(12-13)18-15(19)21-16(2,3)4/h5,13-14,17H,1,6-12H2,2-4H3,(H,18,19).
What are the key properties of tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclopentyl]carbamate?
tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclopentyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclopentyl]carbamate is sourced from PubChem (CID 106397197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).