N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine

C15H27N3O — CID 105138618

IUPACN-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
SMILESCNC(Cc1c(C)nn(C)c1C)CC1CCOCC1
InChIInChI=1S/C15H27N3O/c1-11-15(12(2)18(4)17-11)10-14(16-3)9-13-5-7-19-8-6-13/h13-14,16H,5-10H2,1-4H3
InChIKeyXEXLFMSNMWCCKV-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.98
Rot. Bonds5

About N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine

N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine (PubChem CID 105138618) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
PubChem CID105138618
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
SMILESCNC(Cc1c(C)nn(C)c1C)CC1CCOCC1
InChIInChI=1S/C15H27N3O/c1-11-15(12(2)18(4)17-11)10-14(16-3)9-13-5-7-19-8-6-13/h13-14,16H,5-10H2,1-4H3
InChIKeyXEXLFMSNMWCCKV-UHFFFAOYSA-N
XLogP1.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105138658
[1-(oxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105306650
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine
CID 105034892
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105167837
N-methyl-1-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105153695
1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105147287
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine
CID 105127854
[1-cyclobutyl-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105340222
N-methyl-1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105113719
N,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine
CID 105182478
N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 103030452
1-(4-chlorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105085290

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine (CID 105138618) is N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine is CNC(Cc1c(C)nn(C)c1C)CC1CCOCC1.
What is the InChIKey of N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The InChIKey is XEXLFMSNMWCCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11-15(12(2)18(4)17-11)10-14(16-3)9-13-5-7-19-8-6-13/h13-14,16H,5-10H2,1-4H3.
What are the key properties of N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 105138618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).