1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine

C15H25N3O2 — CID 79920296

IUPAC1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cnn(C2CCOC3(CCOC3)C2)c1
InChIInChI=1S/C15H25N3O2/c1-2-13(16)7-12-9-17-18(10-12)14-3-5-20-15(8-14)4-6-19-11-15/h9-10,13-14H,2-8,11,16H2,1H3
InChIKeyQMBQJZMTFLNXIE-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.67
Rot. Bonds4

About 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine

1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine (PubChem CID 79920296) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine
PubChem CID79920296
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cnn(C2CCOC3(CCOC3)C2)c1
InChIInChI=1S/C15H25N3O2/c1-2-13(16)7-12-9-17-18(10-12)14-3-5-20-15(8-14)4-6-19-11-15/h9-10,13-14H,2-8,11,16H2,1H3
InChIKeyQMBQJZMTFLNXIE-UHFFFAOYSA-N
XLogP1.67
TPSA62.30 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine
CID 79920068
N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine
CID 79910310
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919582
1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine
CID 79919128
N-[[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79920806
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol
CID 79920064
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919453
N-[[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79910305
N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919706
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazole-4-carboxylic acid
CID 79893701
3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine
CID 106220794
N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine
CID 79910321

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine (CID 79920296) is 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine is CCC(N)Cc1cnn(C2CCOC3(CCOC3)C2)c1.
What is the InChIKey of 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine?
The InChIKey is QMBQJZMTFLNXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-13(16)7-12-9-17-18(10-12)14-3-5-20-15(8-14)4-6-19-11-15/h9-10,13-14H,2-8,11,16H2,1H3.
What are the key properties of 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine?
1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine has a molecular weight of 279.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine is sourced from PubChem (CID 79920296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).