2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine

C16H30N4O — CID 104515831

IUPAC2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1nccnc1OC)C(CC)(CC)N(C)C
InChIInChI=1S/C16H30N4O/c1-7-10-18-14(16(8-2,9-3)20(4)5)13-15(21-6)19-12-11-17-13/h11-12,14,18H,7-10H2,1-6H3
InChIKeyBXUGHKUMUWFRNL-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.65
Rot. Bonds9

About 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine

2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine (PubChem CID 104515831) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
PubChem CID104515831
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1nccnc1OC)C(CC)(CC)N(C)C
InChIInChI=1S/C16H30N4O/c1-7-10-18-14(16(8-2,9-3)20(4)5)13-15(21-6)19-12-11-17-13/h11-12,14,18H,7-10H2,1-6H3
InChIKeyBXUGHKUMUWFRNL-UHFFFAOYSA-N
XLogP2.65
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 105032098
2-ethoxy-1-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine
CID 116727206
1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine
CID 113421622
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
CID 114656917
2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 116721761
N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 104515657
1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol
CID 104516706
2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine
CID 79062553
4-methoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 105178681
N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923780
N-[(4,5-dimethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031771
N-ethyl-1-(3-methoxypyrazin-2-yl)-2-methyl-2-phenylpropan-1-amine
CID 104515547

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine (CID 104515831) is 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine is CCCNC(c1nccnc1OC)C(CC)(CC)N(C)C.
What is the InChIKey of 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine?
The InChIKey is BXUGHKUMUWFRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-7-10-18-14(16(8-2,9-3)20(4)5)13-15(21-6)19-12-11-17-13/h11-12,14,18H,7-10H2,1-6H3.
What are the key properties of 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine?
2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 104515831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).