N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine

C15H23N3O2 — CID 79907029

IUPACN-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESc1cn(C2CCOC3(CCOC3)C2)nc1CNC1CC1
InChIInChI=1S/C15H23N3O2/c1-2-12(1)16-10-13-3-6-18(17-13)14-4-7-20-15(9-14)5-8-19-11-15/h3,6,12,14,16H,1-2,4-5,7-11H2
InChIKeyXBQSHZWVJOKRGG-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.65
Rot. Bonds4

About N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine

N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 79907029) 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-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID79907029
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESc1cn(C2CCOC3(CCOC3)C2)nc1CNC1CC1
InChIInChI=1S/C15H23N3O2/c1-2-12(1)16-10-13-3-6-18(17-13)14-4-7-20-15(9-14)5-8-19-11-15/h3,6,12,14,16H,1-2,4-5,7-11H2
InChIKeyXBQSHZWVJOKRGG-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

CID 116621333
CID 116621333
CID 131982895
CID 131982895
CID 141223533
CID 141223533
CID 64100711
CID 64100711
CID 64103302
CID 64103302
CID 64103303
CID 64103303
CID 64459180
CID 64459180
CID 64771447
CID 64771447
CID 64799122
CID 64799122
CID 64799314
CID 64799314
CID 64799315
CID 64799315
CID 65164970
CID 65164970

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine (CID 79907029) is N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine is c1cn(C2CCOC3(CCOC3)C2)nc1CNC1CC1.
What is the InChIKey of N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is XBQSHZWVJOKRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-12(1)16-10-13-3-6-18(17-13)14-4-7-20-15(9-14)5-8-19-11-15/h3,6,12,14,16H,1-2,4-5,7-11H2.
What are the key properties of N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine?
N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-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-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79907029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).