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

C16H29N3O — CID 105138658

IUPACN-ethyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
SMILESCCNC(Cc1c(C)nn(C)c1C)CC1CCOCC1
InChIInChI=1S/C16H29N3O/c1-5-17-15(10-14-6-8-20-9-7-14)11-16-12(2)18-19(4)13(16)3/h14-15,17H,5-11H2,1-4H3
InChIKeyMXJIADDWOKWIFX-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.37
Rot. Bonds6

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

N-ethyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine (PubChem CID 105138658) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-ethyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
PubChem CID105138658
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-ethyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
SMILESCCNC(Cc1c(C)nn(C)c1C)CC1CCOCC1
InChIInChI=1S/C16H29N3O/c1-5-17-15(10-14-6-8-20-9-7-14)11-16-12(2)18-19(4)13(16)3/h14-15,17H,5-11H2,1-4H3
InChIKeyMXJIADDWOKWIFX-UHFFFAOYSA-N
XLogP2.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105138618
[1-(oxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105306650
1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105147287
N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine
CID 105149064
1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 62601125
[1-cyclobutyl-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105340222
N-methyl-1-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105153695
N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine
CID 113362176
1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine
CID 62600215
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 102648848
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105180924
1-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 79225182

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine (CID 105138658) is N-ethyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine is CCNC(Cc1c(C)nn(C)c1C)CC1CCOCC1.
What is the InChIKey of N-ethyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The InChIKey is MXJIADDWOKWIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-17-15(10-14-6-8-20-9-7-14)11-16-12(2)18-19(4)13(16)3/h14-15,17H,5-11H2,1-4H3.
What are the key properties of N-ethyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
N-ethyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 105138658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).