N-ethyl-N-methyl-4-[5-(trifluoromethyl)pyrazin-2-yl]oxyhexan-3-amine

C14H22F3N3O — CID 139504446

IUPACN-ethyl-N-methyl-4-[5-(trifluoromethyl)pyrazin-2-yl]oxyhexan-3-amine
SMILESCCC(Oc1cnc(C(F)(F)F)cn1)C(CC)N(C)CC
InChIInChI=1S/C14H22F3N3O/c1-5-10(20(4)7-3)11(6-2)21-13-9-18-12(8-19-13)14(15,16)17/h8-11H,5-7H2,1-4H3
InChIKeyQEGCAKVBKXUYGZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.38
Rot. Bonds7

About N-ethyl-N-methyl-4-[5-(trifluoromethyl)pyrazin-2-yl]oxyhexan-3-amine

N-ethyl-N-methyl-4-[5-(trifluoromethyl)pyrazin-2-yl]oxyhexan-3-amine (PubChem CID 139504446) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-[5-(trifluoromethyl)pyrazin-2-yl]oxyhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-[5-(trifluoromethyl)pyrazin-2-yl]oxyhexan-3-amine
PubChem CID139504446
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC NameN-ethyl-N-methyl-4-[5-(trifluoromethyl)pyrazin-2-yl]oxyhexan-3-amine
SMILESCCC(Oc1cnc(C(F)(F)F)cn1)C(CC)N(C)CC
InChIInChI=1S/C14H22F3N3O/c1-5-10(20(4)7-3)11(6-2)21-13-9-18-12(8-19-13)14(15,16)17/h8-11H,5-7H2,1-4H3
InChIKeyQEGCAKVBKXUYGZ-UHFFFAOYSA-N
XLogP3.38
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-[5-(trifluoromethyl)pyrazin-2-yl]oxyhexan-3-amine?
The IUPAC name of N-ethyl-N-methyl-4-[5-(trifluoromethyl)pyrazin-2-yl]oxyhexan-3-amine (CID 139504446) is N-ethyl-N-methyl-4-[5-(trifluoromethyl)pyrazin-2-yl]oxyhexan-3-amine.
What is the SMILES notation for N-ethyl-N-methyl-4-[5-(trifluoromethyl)pyrazin-2-yl]oxyhexan-3-amine?
The canonical SMILES for N-ethyl-N-methyl-4-[5-(trifluoromethyl)pyrazin-2-yl]oxyhexan-3-amine is CCC(Oc1cnc(C(F)(F)F)cn1)C(CC)N(C)CC.
What is the InChIKey of N-ethyl-N-methyl-4-[5-(trifluoromethyl)pyrazin-2-yl]oxyhexan-3-amine?
The InChIKey is QEGCAKVBKXUYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-5-10(20(4)7-3)11(6-2)21-13-9-18-12(8-19-13)14(15,16)17/h8-11H,5-7H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-4-[5-(trifluoromethyl)pyrazin-2-yl]oxyhexan-3-amine?
N-ethyl-N-methyl-4-[5-(trifluoromethyl)pyrazin-2-yl]oxyhexan-3-amine has a molecular weight of 305.34 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-[5-(trifluoromethyl)pyrazin-2-yl]oxyhexan-3-amine is sourced from PubChem (CID 139504446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).