(1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine

C15H25N3O — CID 79911940

IUPAC(1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCn1cc(C(N)C2CCOC3(CCCCC3)C2)cn1
InChIInChI=1S/C15H25N3O/c1-18-11-13(10-17-18)14(16)12-5-8-19-15(9-12)6-3-2-4-7-15/h10-12,14H,2-9,16H2,1H3
InChIKeyVZDLIQCULIJHMC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.55
Rot. Bonds2

About (1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine

(1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 79911940) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
PubChem CID79911940
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCn1cc(C(N)C2CCOC3(CCCCC3)C2)cn1
InChIInChI=1S/C15H25N3O/c1-18-11-13(10-17-18)14(16)12-5-8-19-15(9-12)6-3-2-4-7-15/h10-12,14H,2-9,16H2,1H3
InChIKeyVZDLIQCULIJHMC-UHFFFAOYSA-N
XLogP2.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylpyrazol-4-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911590
(1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170198
1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol
CID 103572574
(1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911247
5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine
CID 79914138
(4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79922225
(3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 102812619
(3-chloro-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016187
(4-ethylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106848506
6-oxaspiro[4.5]decan-9-yl(pyrazin-2-yl)methanamine
CID 79914615
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81492336
2,3-dihydro-1,4-benzodioxin-6-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010101

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of (1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine (CID 79911940) is (1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for (1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine is Cn1cc(C(N)C2CCOC3(CCCCC3)C2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is VZDLIQCULIJHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-18-11-13(10-17-18)14(16)12-5-8-19-15(9-12)6-3-2-4-7-15/h10-12,14H,2-9,16H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
(1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 79911940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).