tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate

C15H28N2O2 — CID 107446234

IUPACtert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate
SMILESC#CC(C)NCCN(C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-9-12(2)16-10-11-17(14(3,4)5)13(18)19-15(6,7)8/h1,12,16H,10-11H2,2-8H3
InChIKeyNAKKYOJFCKCQBT-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.63
Rot. Bonds4

About tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate (PubChem CID 107446234) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate
PubChem CID107446234
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate
SMILESC#CC(C)NCCN(C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-9-12(2)16-10-11-17(14(3,4)5)13(18)19-15(6,7)8/h1,12,16H,10-11H2,2-8H3
InChIKeyNAKKYOJFCKCQBT-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate
CID 107446039
tert-butyl N-tert-butyl-N-[2-(2-methylbut-3-yn-2-ylamino)ethyl]carbamate
CID 107445680
tert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate
CID 107445776
tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate
CID 107445532
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
tert-butyl N-tert-butyl-N-[2-(1-methylsulfanylbutan-2-ylamino)ethyl]carbamate
CID 107446166
tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate
CID 107446215
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl N-tert-butyl-N-[2-(2-methoxypropylamino)ethyl]carbamate
CID 107446261
tert-butyl N-tert-butyl-N-[2-(octan-4-ylamino)ethyl]carbamate
CID 106023012
tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-4,4-dimethylpentyl)amino]ethyl]carbamate
CID 107446284
tert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate
CID 107444710

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate (CID 107446234) is tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate is C#CC(C)NCCN(C(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate?
The InChIKey is NAKKYOJFCKCQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-9-12(2)16-10-11-17(14(3,4)5)13(18)19-15(6,7)8/h1,12,16H,10-11H2,2-8H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate has a molecular weight of 268.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 107446234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).