N-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine

C13H21N3O2 — CID 54951074

IUPACN-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESc1cnn(CCNC2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C13H21N3O2/c1-6-15-16(8-1)9-7-14-12-2-4-13(5-3-12)17-10-11-18-13/h1,6,8,12,14H,2-5,7,9-11H2
InChIKeyZOSYZGYRNGAYFM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.16
Rot. Bonds4

About N-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine

N-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 54951074) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID54951074
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESc1cnn(CCNC2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C13H21N3O2/c1-6-15-16(8-1)9-7-14-12-2-4-13(5-3-12)17-10-11-18-13/h1,6,8,12,14H,2-5,7,9-11H2
InChIKeyZOSYZGYRNGAYFM-UHFFFAOYSA-N
XLogP1.16
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyrazol-1-ylethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895292
N-(2-pyrazol-1-ylethyl)oxolan-3-amine
CID 63335100
2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine
CID 83032997
N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61215283
1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine
CID 79458214
4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115651935
N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61035182
1-cyclopropyl-5-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine
CID 115871543
N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759430
N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 154753113
(5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 126453764
N-pent-3-ynyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 116643059

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 54951074) is N-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine is c1cnn(CCNC2CCC3(CC2)OCCO3)c1.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is ZOSYZGYRNGAYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-6-15-16(8-1)9-7-14-12-2-4-13(5-3-12)17-10-11-18-13/h1,6,8,12,14H,2-5,7,9-11H2.
What are the key properties of N-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 251.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 54951074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).