N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine

C13H24N4 — CID 79087147

IUPACN,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1cnccn1
InChIInChI=1S/C13H24N4/c1-4-15-12(7-10-17(5-2)6-3)13-11-14-8-9-16-13/h8-9,11-12,15H,4-7,10H2,1-3H3
InChIKeyCCACBWFSPDXJOO-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.86
Rot. Bonds8

About N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine

N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine (PubChem CID 79087147) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine
PubChem CID79087147
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1cnccn1
InChIInChI=1S/C13H24N4/c1-4-15-12(7-10-17(5-2)6-3)13-11-14-8-9-16-13/h8-9,11-12,15H,4-7,10H2,1-3H3
InChIKeyCCACBWFSPDXJOO-UHFFFAOYSA-N
XLogP1.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N',N'-dimethyl-1-pyrazin-2-ylpropane-1,3-diamine
CID 115346569
N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 65095551
N-ethyl-2-propan-2-ylsulfanyl-1-pyrazin-2-ylethanamine
CID 65132126
2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 54910869
N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine
CID 65129386
N-ethyl-1-pyrazin-2-yl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549862
2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine
CID 65132621
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-pyrazin-2-ylethanamine
CID 105149914
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104801439
N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine
CID 115860523
2-(2,3-dichlorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 107308453
4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 64567832

Frequently Asked Questions

What is the IUPAC name of N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine?
The IUPAC name of N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine (CID 79087147) is N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine?
The canonical SMILES for N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine is CCNC(CCN(CC)CC)c1cnccn1.
What is the InChIKey of N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine?
The InChIKey is CCACBWFSPDXJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-15-12(7-10-17(5-2)6-3)13-11-14-8-9-16-13/h8-9,11-12,15H,4-7,10H2,1-3H3.
What are the key properties of N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine?
N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 79087147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).