methyl-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamic acid

C19H32N4O2 — CID 90461025

IUPACmethyl-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamic acid
SMILESCN(CCN(C)C(=O)O)Cc1ccnn1C1CCC2(CCCC2)CC1
InChIInChI=1S/C19H32N4O2/c1-21(13-14-22(2)18(24)25)15-17-7-12-20-23(17)16-5-10-19(11-6-16)8-3-4-9-19/h7,12,16H,3-6,8-11,13-15H2,1-2H3,(H,24,25)
InChIKeyRSBCQYFKGLAXCM-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.60
Rot. Bonds6

About methyl-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamic acid

methyl-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamic acid (PubChem CID 90461025) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is methyl-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamic acid
PubChem CID90461025
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Namemethyl-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamic acid
SMILESCN(CCN(C)C(=O)O)Cc1ccnn1C1CCC2(CCCC2)CC1
InChIInChI=1S/C19H32N4O2/c1-21(13-14-22(2)18(24)25)15-17-7-12-20-23(17)16-5-10-19(11-6-16)8-3-4-9-19/h7,12,16H,3-6,8-11,13-15H2,1-2H3,(H,24,25)
InChIKeyRSBCQYFKGLAXCM-UHFFFAOYSA-N
XLogP3.60
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamic acid?
The IUPAC name of methyl-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamic acid (CID 90461025) is methyl-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamic acid.
What is the SMILES notation for methyl-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamic acid?
The canonical SMILES for methyl-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamic acid is CN(CCN(C)C(=O)O)Cc1ccnn1C1CCC2(CCCC2)CC1.
What is the InChIKey of methyl-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamic acid?
The InChIKey is RSBCQYFKGLAXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-21(13-14-22(2)18(24)25)15-17-7-12-20-23(17)16-5-10-19(11-6-16)8-3-4-9-19/h7,12,16H,3-6,8-11,13-15H2,1-2H3,(H,24,25).
What are the key properties of methyl-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamic acid?
methyl-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamic acid has a molecular weight of 348.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[methyl-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]amino]ethyl]carbamic acid is sourced from PubChem (CID 90461025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).