tert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate

C15H26N2O2 — CID 106226389

IUPACtert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate
SMILESC#CC(CCC)NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N2O2/c1-6-8-11(7-2)16-12-9-13(10-12)17-14(18)19-15(3,4)5/h2,11-13,16H,6,8-10H2,1,3-5H3,(H,17,18)
InChIKeyVUPCAKXXVFSJTK-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.43
Rot. Bonds5

About tert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate

tert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate (PubChem CID 106226389) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is tert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate
PubChem CID106226389
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nametert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate
SMILESC#CC(CCC)NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N2O2/c1-6-8-11(7-2)16-12-9-13(10-12)17-14(18)19-15(3,4)5/h2,11-13,16H,6,8-10H2,1,3-5H3,(H,17,18)
InChIKeyVUPCAKXXVFSJTK-UHFFFAOYSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[3-(1-piperidin-1-ylpropan-2-ylamino)cyclobutyl]carbamate
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tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate (CID 106226389) is tert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate is C#CC(CCC)NC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate?
The InChIKey is VUPCAKXXVFSJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-6-8-11(7-2)16-12-9-13(10-12)17-14(18)19-15(3,4)5/h2,11-13,16H,6,8-10H2,1,3-5H3,(H,17,18).
What are the key properties of tert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate has a molecular weight of 266.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate is sourced from PubChem (CID 106226389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).