N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine

C15H25N3O2 — CID 79919582

IUPACN-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(C2CCOC3(CCOCC3)C2)c1
InChIInChI=1S/C15H25N3O2/c1-2-16-10-13-11-17-18(12-13)14-3-6-20-15(9-14)4-7-19-8-5-15/h11-12,14,16H,2-10H2,1H3
InChIKeyHAFWZSVXSIKRKL-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.89
Rot. Bonds4

About N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine

N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 79919582) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
PubChem CID79919582
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(C2CCOC3(CCOCC3)C2)c1
InChIInChI=1S/C15H25N3O2/c1-2-16-10-13-11-17-18(12-13)14-3-6-20-15(9-14)4-7-19-8-5-15/h11-12,14,16H,2-10H2,1H3
InChIKeyHAFWZSVXSIKRKL-UHFFFAOYSA-N
XLogP1.89
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919453
N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919706
N-[[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79920806
N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine
CID 79910310
N-[[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79910305
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol
CID 79920064
1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine
CID 79920296
1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine
CID 79920068
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazole-4-carboxylic acid
CID 79893701
N-[(1-cyclopentylpyrazol-4-yl)methyl]ethanamine
CID 61271729
2-methoxy-N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine
CID 79910318
N-[[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]methyl]ethanamine
CID 79909835

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine (CID 79919582) is N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(C2CCOC3(CCOCC3)C2)c1.
What is the InChIKey of N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is HAFWZSVXSIKRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-16-10-13-11-17-18(12-13)14-3-6-20-15(9-14)4-7-19-8-5-15/h11-12,14,16H,2-10H2,1H3.
What are the key properties of N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine?
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 79919582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).