tert-butyl N-methyl-N-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamate

C23H40N4O2 — CID 90463068

IUPACtert-butyl N-methyl-N-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)Cc1ccnn1C1CCC2(CCCC2)CC1
InChIInChI=1S/C23H40N4O2/c1-22(2,3)29-21(28)26(5)17-16-25(4)18-20-10-15-24-27(20)19-8-13-23(14-9-19)11-6-7-12-23/h10,15,19H,6-9,11-14,16-18H2,1-5H3
InChIKeyKKFIMOQJRHHWSE-UHFFFAOYSA-N
MW404.60 g/mol
LogP4.86
Rot. Bonds6

About tert-butyl N-methyl-N-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamate

tert-butyl N-methyl-N-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamate (PubChem CID 90463068) has the molecular formula C23H40N4O2 and a molecular weight of 404.60 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamate
PubChem CID90463068
Molecular FormulaC23H40N4O2
Molecular Weight404.60 g/mol
Exact Mass404.32
IUPAC Nametert-butyl N-methyl-N-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)Cc1ccnn1C1CCC2(CCCC2)CC1
InChIInChI=1S/C23H40N4O2/c1-22(2,3)29-21(28)26(5)17-16-25(4)18-20-10-15-24-27(20)19-8-13-23(14-9-19)11-6-7-12-23/h10,15,19H,6-9,11-14,16-18H2,1-5H3
InChIKeyKKFIMOQJRHHWSE-UHFFFAOYSA-N
XLogP4.86
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-methyl-N-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamate (CID 90463068) is tert-butyl N-methyl-N-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamate is CN(CCN(C)C(=O)OC(C)(C)C)Cc1ccnn1C1CCC2(CCCC2)CC1.
What is the InChIKey of tert-butyl N-methyl-N-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamate?
The InChIKey is KKFIMOQJRHHWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4O2/c1-22(2,3)29-21(28)26(5)17-16-25(4)18-20-10-15-24-27(20)19-8-13-23(14-9-19)11-6-7-12-23/h10,15,19H,6-9,11-14,16-18H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamate has a molecular weight of 404.60 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamate is sourced from PubChem (CID 90463068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).