2-methyl-N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]propan-1-amine

C17H29N3O — CID 79907295

IUPAC2-methyl-N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccn(C2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C17H29N3O/c1-14(2)12-18-13-15-5-9-20(19-15)16-6-10-21-17(11-16)7-3-4-8-17/h5,9,14,16,18H,3-4,6-8,10-13H2,1-2H3
InChIKeyKEMHGHPBYAJOCG-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.29
Rot. Bonds5

About 2-methyl-N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]propan-1-amine

2-methyl-N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]propan-1-amine (PubChem CID 79907295) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-methyl-N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]propan-1-amine
PubChem CID79907295
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-methyl-N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccn(C2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C17H29N3O/c1-14(2)12-18-13-15-5-9-20(19-15)16-6-10-21-17(11-16)7-3-4-8-17/h5,9,14,16,18H,3-4,6-8,10-13H2,1-2H3
InChIKeyKEMHGHPBYAJOCG-UHFFFAOYSA-N
XLogP3.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]propan-1-amine (CID 79907295) is 2-methyl-N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]propan-1-amine is CC(C)CNCc1ccn(C2CCOC3(CCCC3)C2)n1.
What is the InChIKey of 2-methyl-N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]propan-1-amine?
The InChIKey is KEMHGHPBYAJOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14(2)12-18-13-15-5-9-20(19-15)16-6-10-21-17(11-16)7-3-4-8-17/h5,9,14,16,18H,3-4,6-8,10-13H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 79907295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).