tert-butyl N-[2-[1-(2-methylpyrazol-3-yl)ethylamino]hexyl]carbamate

C17H32N4O2 — CID 107093787

IUPACtert-butyl N-[2-[1-(2-methylpyrazol-3-yl)ethylamino]hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC(C)c1ccnn1C
InChIInChI=1S/C17H32N4O2/c1-7-8-9-14(12-18-16(22)23-17(3,4)5)20-13(2)15-10-11-19-21(15)6/h10-11,13-14,20H,7-9,12H2,1-6H3,(H,18,22)
InChIKeyWFGSCFUMNSTQGM-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.15
Rot. Bonds8

About tert-butyl N-[2-[1-(2-methylpyrazol-3-yl)ethylamino]hexyl]carbamate

tert-butyl N-[2-[1-(2-methylpyrazol-3-yl)ethylamino]hexyl]carbamate (PubChem CID 107093787) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2-methylpyrazol-3-yl)ethylamino]hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2-methylpyrazol-3-yl)ethylamino]hexyl]carbamate
PubChem CID107093787
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Nametert-butyl N-[2-[1-(2-methylpyrazol-3-yl)ethylamino]hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC(C)c1ccnn1C
InChIInChI=1S/C17H32N4O2/c1-7-8-9-14(12-18-16(22)23-17(3,4)5)20-13(2)15-10-11-19-21(15)6/h10-11,13-14,20H,7-9,12H2,1-6H3,(H,18,22)
InChIKeyWFGSCFUMNSTQGM-UHFFFAOYSA-N
XLogP3.15
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate
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(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-methylpyrazol-3-yl)propanoic acid
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tert-butyl N-[2-amino-1-(2-methylpyrazol-3-yl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2-methylpyrazol-3-yl)ethylamino]hexyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2-methylpyrazol-3-yl)ethylamino]hexyl]carbamate (CID 107093787) is tert-butyl N-[2-[1-(2-methylpyrazol-3-yl)ethylamino]hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2-methylpyrazol-3-yl)ethylamino]hexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2-methylpyrazol-3-yl)ethylamino]hexyl]carbamate is CCCCC(CNC(=O)OC(C)(C)C)NC(C)c1ccnn1C.
What is the InChIKey of tert-butyl N-[2-[1-(2-methylpyrazol-3-yl)ethylamino]hexyl]carbamate?
The InChIKey is WFGSCFUMNSTQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-7-8-9-14(12-18-16(22)23-17(3,4)5)20-13(2)15-10-11-19-21(15)6/h10-11,13-14,20H,7-9,12H2,1-6H3,(H,18,22).
What are the key properties of tert-butyl N-[2-[1-(2-methylpyrazol-3-yl)ethylamino]hexyl]carbamate?
tert-butyl N-[2-[1-(2-methylpyrazol-3-yl)ethylamino]hexyl]carbamate has a molecular weight of 324.47 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(2-methylpyrazol-3-yl)ethylamino]hexyl]carbamate is sourced from PubChem (CID 107093787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).