N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine

C15H23N3O2 — CID 79910310

IUPACN-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESc1nn(C2CCOC3(CCOC3)C2)cc1CNC1CC1
InChIInChI=1S/C15H23N3O2/c1-2-13(1)16-8-12-9-17-18(10-12)14-3-5-20-15(7-14)4-6-19-11-15/h9-10,13-14,16H,1-8,11H2
InChIKeyGAOGHWYMKCRWKA-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.65
Rot. Bonds4

About N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine

N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 79910310) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID79910310
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESc1nn(C2CCOC3(CCOC3)C2)cc1CNC1CC1
InChIInChI=1S/C15H23N3O2/c1-2-13(1)16-8-12-9-17-18(10-12)14-3-5-20-15(7-14)4-6-19-11-15/h9-10,13-14,16H,1-8,11H2
InChIKeyGAOGHWYMKCRWKA-UHFFFAOYSA-N
XLogP1.65
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919582
1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine
CID 79920296
N-[[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79920806
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919453
N-[[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79910305
N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919706
N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 103894107
N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61035182
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazole-4-carboxylic acid
CID 79893701
2-methoxy-N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine
CID 79910318
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol
CID 79920064
1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine
CID 79920068

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine (CID 79910310) is N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine is c1nn(C2CCOC3(CCOC3)C2)cc1CNC1CC1.
What is the InChIKey of N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is GAOGHWYMKCRWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-13(1)16-8-12-9-17-18(10-12)14-3-5-20-15(7-14)4-6-19-11-15/h9-10,13-14,16H,1-8,11H2.
What are the key properties of N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 277.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79910310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).