N-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine

C17H29N3O — CID 102901212

IUPACN-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CC2CCC3(CCCCC3)O2)nc1C
InChIInChI=1S/C17H29N3O/c1-3-18-11-15-12-20(19-14(15)2)13-16-7-10-17(21-16)8-5-4-6-9-17/h12,16,18H,3-11,13H2,1-2H3
InChIKeyYBMHYRJOWLVKLV-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.18
Rot. Bonds5

About N-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine

N-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 102901212) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID102901212
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CC2CCC3(CCCCC3)O2)nc1C
InChIInChI=1S/C17H29N3O/c1-3-18-11-15-12-20(19-14(15)2)13-16-7-10-17(21-16)8-5-4-6-9-17/h12,16,18H,3-11,13H2,1-2H3
InChIKeyYBMHYRJOWLVKLV-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 102901214
3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrazole-4-carboxylic acid
CID 102898704
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrol-2-yl]methyl]ethanamine
CID 102899594
N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 102900144
methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)triazole-4-carboxylate
CID 102846929
1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one
CID 102900615
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 102901261
1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 102900151
N-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]ethanamine
CID 112644558
4-(1-chloropropyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)triazole
CID 102900177
3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole
CID 102901064
N-[1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 102900643

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine (CID 102901212) is N-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1cn(CC2CCC3(CCCCC3)O2)nc1C.
What is the InChIKey of N-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is YBMHYRJOWLVKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-18-11-15-12-20(19-14(15)2)13-16-7-10-17(21-16)8-5-4-6-9-17/h12,16,18H,3-11,13H2,1-2H3.
What are the key properties of N-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine?
N-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 102901212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).