2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine

C15H27N3O — CID 116726100

IUPAC2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
SMILESCCCNC(c1cnccn1)C(OCC)C(C)(C)C
InChIInChI=1S/C15H27N3O/c1-6-8-18-13(12-11-16-9-10-17-12)14(19-7-2)15(3,4)5/h9-11,13-14,18H,6-8H2,1-5H3
InChIKeyIDHRYEINHAIKDC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.97
Rot. Bonds7

About 2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine

2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine (PubChem CID 116726100) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
PubChem CID116726100
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
SMILESCCCNC(c1cnccn1)C(OCC)C(C)(C)C
InChIInChI=1S/C15H27N3O/c1-6-8-18-13(12-11-16-9-10-17-12)14(19-7-2)15(3,4)5/h9-11,13-14,18H,6-8H2,1-5H3
InChIKeyIDHRYEINHAIKDC-UHFFFAOYSA-N
XLogP2.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine
CID 103759753
N-ethyl-2-methoxy-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine
CID 116724887
3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine
CID 103311965
2-cyclopropyl-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 115860641
2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116725959
2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116726056
2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 116725958
2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 115860421
2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116726066
2-(1-ethoxyethyl)pyrazine
CID 71406239
4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 64567832
1-(4-bromothiophen-3-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116726083

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine?
The IUPAC name of 2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine (CID 116726100) is 2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine?
The canonical SMILES for 2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine is CCCNC(c1cnccn1)C(OCC)C(C)(C)C.
What is the InChIKey of 2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine?
The InChIKey is IDHRYEINHAIKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-6-8-18-13(12-11-16-9-10-17-12)14(19-7-2)15(3,4)5/h9-11,13-14,18H,6-8H2,1-5H3.
What are the key properties of 2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine?
2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine is sourced from PubChem (CID 116726100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).