N-(2-pyrazol-1-ylethyl)-1-oxaspiro[5.5]undecan-4-amine

C15H25N3O — CID 79895292

IUPACN-(2-pyrazol-1-ylethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESc1cnn(CCNC2CCOC3(CCCCC3)C2)c1
InChIInChI=1S/C15H25N3O/c1-2-6-15(7-3-1)13-14(5-12-19-15)16-9-11-18-10-4-8-17-18/h4,8,10,14,16H,1-3,5-7,9,11-13H2
InChIKeyGCPOJAXTYZTSCN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.35
Rot. Bonds4

About N-(2-pyrazol-1-ylethyl)-1-oxaspiro[5.5]undecan-4-amine

N-(2-pyrazol-1-ylethyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79895292) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79895292
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(2-pyrazol-1-ylethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESc1cnn(CCNC2CCOC3(CCCCC3)C2)c1
InChIInChI=1S/C15H25N3O/c1-2-6-15(7-3-1)13-14(5-12-19-15)16-9-11-18-10-4-8-17-18/h4,8,10,14,16H,1-3,5-7,9,11-13H2
InChIKeyGCPOJAXTYZTSCN-UHFFFAOYSA-N
XLogP2.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine
CID 83032997
N-(2-pyrazol-1-ylethyl)oxolan-3-amine
CID 63335100
N-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 54951074
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 80689155
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
N',N'-diethyl-N-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898315
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79899028
N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79895066
N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895848
N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895785

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2-pyrazol-1-ylethyl)-1-oxaspiro[5.5]undecan-4-amine (CID 79895292) is N-(2-pyrazol-1-ylethyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)-1-oxaspiro[5.5]undecan-4-amine is c1cnn(CCNC2CCOC3(CCCCC3)C2)c1.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is GCPOJAXTYZTSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-6-15(7-3-1)13-14(5-12-19-15)16-9-11-18-10-4-8-17-18/h4,8,10,14,16H,1-3,5-7,9,11-13H2.
What are the key properties of N-(2-pyrazol-1-ylethyl)-1-oxaspiro[5.5]undecan-4-amine?
N-(2-pyrazol-1-ylethyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 263.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79895292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).