N-ethyl-4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine

C15H29N3O — CID 103031790

IUPACN-ethyl-4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1c(C)nn(C)c1C
InChIInChI=1S/C15H29N3O/c1-8-16-13(9-10-15(4,5)19-7)14-11(2)17-18(6)12(14)3/h13,16H,8-10H2,1-7H3
InChIKeyYRBZOIGLDQUPRP-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.89
Rot. Bonds7

About N-ethyl-4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine

N-ethyl-4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine (PubChem CID 103031790) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-ethyl-4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
PubChem CID103031790
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-ethyl-4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1c(C)nn(C)c1C
InChIInChI=1S/C15H29N3O/c1-8-16-13(9-10-15(4,5)19-7)14-11(2)17-18(6)12(14)3/h13,16H,8-10H2,1-7H3
InChIKeyYRBZOIGLDQUPRP-UHFFFAOYSA-N
XLogP2.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine (CID 103031790) is N-ethyl-4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine is CCNC(CCC(C)(C)OC)c1c(C)nn(C)c1C.
What is the InChIKey of N-ethyl-4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
The InChIKey is YRBZOIGLDQUPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-8-16-13(9-10-15(4,5)19-7)14-11(2)17-18(6)12(14)3/h13,16H,8-10H2,1-7H3.
What are the key properties of N-ethyl-4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
N-ethyl-4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine is sourced from PubChem (CID 103031790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).