tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate

C15H28N4O2 — CID 103788232

IUPACtert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate
SMILESCC(NCC(C)(C)NC(=O)OC(C)(C)C)c1cnn(C)c1
InChIInChI=1S/C15H28N4O2/c1-11(12-8-17-19(7)9-12)16-10-15(5,6)18-13(20)21-14(2,3)4/h8-9,11,16H,10H2,1-7H3,(H,18,20)
InChIKeyBYNXRSPJSQBSGE-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.37
Rot. Bonds5

About tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate

tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate (PubChem CID 103788232) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate
PubChem CID103788232
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Nametert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate
SMILESCC(NCC(C)(C)NC(=O)OC(C)(C)C)c1cnn(C)c1
InChIInChI=1S/C15H28N4O2/c1-11(12-8-17-19(7)9-12)16-10-15(5,6)18-13(20)21-14(2,3)4/h8-9,11,16H,10H2,1-7H3,(H,18,20)
InChIKeyBYNXRSPJSQBSGE-UHFFFAOYSA-N
XLogP2.37
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate (CID 103788232) is tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate is CC(NCC(C)(C)NC(=O)OC(C)(C)C)c1cnn(C)c1.
What is the InChIKey of tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate?
The InChIKey is BYNXRSPJSQBSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-11(12-8-17-19(7)9-12)16-10-15(5,6)18-13(20)21-14(2,3)4/h8-9,11,16H,10H2,1-7H3,(H,18,20).
What are the key properties of tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate has a molecular weight of 296.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate is sourced from PubChem (CID 103788232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).