N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine

C17H31N3 — CID 105124396

IUPACN-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine
SMILESCCCCCCCCCC(NCC)c1cnc(C)cn1
InChIInChI=1S/C17H31N3/c1-4-6-7-8-9-10-11-12-16(18-5-2)17-14-19-15(3)13-20-17/h13-14,16,18H,4-12H2,1-3H3
InChIKeyGVJWYWSOQBKPIM-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.58
Rot. Bonds11

About N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine

N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine (PubChem CID 105124396) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine
PubChem CID105124396
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine
SMILESCCCCCCCCCC(NCC)c1cnc(C)cn1
InChIInChI=1S/C17H31N3/c1-4-6-7-8-9-10-11-12-16(18-5-2)17-14-19-15(3)13-20-17/h13-14,16,18H,4-12H2,1-3H3
InChIKeyGVJWYWSOQBKPIM-UHFFFAOYSA-N
XLogP4.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(5-methylpyrazin-2-yl)decan-1-amine
CID 105124065
N-methyl-1-(5-methylpyrazin-2-yl)pentan-1-amine
CID 105125302
N-ethyl-1-(6-methyl-3-pyridinyl)undecan-1-amine
CID 105138195
N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine
CID 115855028
5-methyl-1-(5-methylpyrazin-2-yl)-N-propylhexan-1-amine
CID 105177042
1-(5-methylpyrazin-2-yl)octan-1-amine
CID 105124976
N-ethyl-2-methoxy-1-(5-methylpyrazin-2-yl)ethanamine
CID 105165697
1-(5-methylpyrazin-2-yl)hexan-1-amine
CID 105129918
N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine
CID 113329619
N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine
CID 63839591
N-ethyl-1-pyridin-2-ylnonan-1-amine
CID 62600129
N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine
CID 105138214

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine?
The IUPAC name of N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine (CID 105124396) is N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine?
The canonical SMILES for N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine is CCCCCCCCCC(NCC)c1cnc(C)cn1.
What is the InChIKey of N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine?
The InChIKey is GVJWYWSOQBKPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-6-7-8-9-10-11-12-16(18-5-2)17-14-19-15(3)13-20-17/h13-14,16,18H,4-12H2,1-3H3.
What are the key properties of N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine?
N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 4.58, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine is sourced from PubChem (CID 105124396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).