N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine

C15H27N3 — CID 115860523

IUPACN-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine
SMILESCCNC(CC(C)CC(C)(C)C)c1cnccn1
InChIInChI=1S/C15H27N3/c1-6-17-13(14-11-16-7-8-18-14)9-12(2)10-15(3,4)5/h7-8,11-13,17H,6,9-10H2,1-5H3
InChIKeyDEZFLRCYQNAQNG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.59
Rot. Bonds6

About N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine

N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine (PubChem CID 115860523) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine
PubChem CID115860523
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine
SMILESCCNC(CC(C)CC(C)(C)C)c1cnccn1
InChIInChI=1S/C15H27N3/c1-6-17-13(14-11-16-7-8-18-14)9-12(2)10-15(3,4)5/h7-8,11-13,17H,6,9-10H2,1-5H3
InChIKeyDEZFLRCYQNAQNG-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-ethyl-2-propan-2-ylsulfanyl-1-pyrazin-2-ylethanamine
CID 65132126
N-ethyl-N',N'-dimethyl-1-pyrazin-2-ylpropane-1,3-diamine
CID 115346569
N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine
CID 65129386
N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine
CID 43489064
N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine
CID 79087147
N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine
CID 105043720
N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine
CID 43489288
2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 54910869
(1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine
CID 130039914
N,4,4-trimethyl-1-pyrazin-2-ylpentan-1-amine
CID 62601001

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine?
The IUPAC name of N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine (CID 115860523) is N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine.
What is the SMILES notation for N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine?
The canonical SMILES for N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine is CCNC(CC(C)CC(C)(C)C)c1cnccn1.
What is the InChIKey of N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine?
The InChIKey is DEZFLRCYQNAQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-17-13(14-11-16-7-8-18-14)9-12(2)10-15(3,4)5/h7-8,11-13,17H,6,9-10H2,1-5H3.
What are the key properties of N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine?
N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine is sourced from PubChem (CID 115860523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).