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

C16H25N3O — CID 79907027

IUPACN-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESc1cn(C2CCOC3(CCCC3)C2)nc1CNC1CC1
InChIInChI=1S/C16H25N3O/c1-2-8-16(7-1)11-15(6-10-20-16)19-9-5-14(18-19)12-17-13-3-4-13/h5,9,13,15,17H,1-4,6-8,10-12H2
InChIKeyVYQSKRJAHASUKQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.80
Rot. Bonds4

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

N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 79907027) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID79907027
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESc1cn(C2CCOC3(CCCC3)C2)nc1CNC1CC1
InChIInChI=1S/C16H25N3O/c1-2-8-16(7-1)11-15(6-10-20-16)19-9-5-14(18-19)12-17-13-3-4-13/h5,9,13,15,17H,1-4,6-8,10-12H2
InChIKeyVYQSKRJAHASUKQ-UHFFFAOYSA-N
XLogP2.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine (CID 79907027) is N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine is c1cn(C2CCOC3(CCCC3)C2)nc1CNC1CC1.
What is the InChIKey of N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is VYQSKRJAHASUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-8-16(7-1)11-15(6-10-20-16)19-9-5-14(18-19)12-17-13-3-4-13/h5,9,13,15,17H,1-4,6-8,10-12H2.
What are the key properties of N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine?
N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine has a molecular weight of 275.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79907027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).