(1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine

C14H23N3O2 — CID 102804203

IUPAC(1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
SMILESCc1nn(C)cc1C(N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H23N3O2/c1-10-12(8-17(2)16-10)13(15)11-3-5-19-14(7-11)4-6-18-9-14/h8,11,13H,3-7,9,15H2,1-2H3
InChIKeyOUGORIZBVIDMDA-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.31
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine

(1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 102804203) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
PubChem CID102804203
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
SMILESCc1nn(C)cc1C(N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H23N3O2/c1-10-12(8-17(2)16-10)13(15)11-3-5-19-14(7-11)4-6-18-9-14/h8,11,13H,3-7,9,15H2,1-2H3
InChIKeyOUGORIZBVIDMDA-UHFFFAOYSA-N
XLogP1.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylmethanamine
CID 102804139
(3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 102812619
(2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 107503040
(2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 105167540
1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 115990440
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
2,6-dioxaspiro[4.5]decan-9-yl-(2,4,6-trifluorophenyl)methanamine
CID 105017180
(1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170198
2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
CID 79914092
(1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911247
(1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79911940
1-(2,6-dimethyl-3-pyridinyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105170298

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine (CID 102804203) is (1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine is Cc1nn(C)cc1C(N)C1CCOC2(CCOC2)C1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is OUGORIZBVIDMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-12(8-17(2)16-10)13(15)11-3-5-19-14(7-11)4-6-18-9-14/h8,11,13H,3-7,9,15H2,1-2H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine?
(1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 265.36 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 102804203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).