1-[3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine

C17H29N3O — CID 79910074

IUPAC1-[3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine
SMILESCCC(N)c1c(C)nn(C2CCOC3(CCCC3)C2)c1C
InChIInChI=1S/C17H29N3O/c1-4-15(18)16-12(2)19-20(13(16)3)14-7-10-21-17(11-14)8-5-6-9-17/h14-15H,4-11,18H2,1-3H3
InChIKeySPHNCOHCLYVASA-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.57
Rot. Bonds3

About 1-[3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine

1-[3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine (PubChem CID 79910074) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine
PubChem CID79910074
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine
SMILESCCC(N)c1c(C)nn(C2CCOC3(CCCC3)C2)c1C
InChIInChI=1S/C17H29N3O/c1-4-15(18)16-12(2)19-20(13(16)3)14-7-10-21-17(11-14)8-5-6-9-17/h14-15H,4-11,18H2,1-3H3
InChIKeySPHNCOHCLYVASA-UHFFFAOYSA-N
XLogP3.57
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-chloropropyl)-3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
CID 79910588
1-[3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine
CID 79910072
1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine
CID 63937696
4-(chloromethyl)-3,5-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)pyrazole
CID 79919935
1-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 62728955
1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 64740273
3,5-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazol-4-amine
CID 79903937
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 79899673
4-(chloromethyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,5-dimethylpyrazole
CID 79919712
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
CID 79920836
5-methyl-1-(6-oxaspiro[4.5]decan-9-yl)triazole-4-carboxylic acid
CID 79920566
(1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170198

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of 1-[3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine (CID 79910074) is 1-[3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine is CCC(N)c1c(C)nn(C2CCOC3(CCCC3)C2)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine?
The InChIKey is SPHNCOHCLYVASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-15(18)16-12(2)19-20(13(16)3)14-7-10-21-17(11-14)8-5-6-9-17/h14-15H,4-11,18H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine?
1-[3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 79910074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).