1-(3-methoxypyrazin-2-yl)-3,5,5-trimethylhexan-1-amine

C14H25N3O — CID 105031783

IUPAC1-(3-methoxypyrazin-2-yl)-3,5,5-trimethylhexan-1-amine
SMILESCOc1nccnc1C(N)CC(C)CC(C)(C)C
InChIInChI=1S/C14H25N3O/c1-10(9-14(2,3)4)8-11(15)12-13(18-5)17-7-6-16-12/h6-7,10-11H,8-9,15H2,1-5H3
InChIKeyOLIYCUNCLVXRNR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.95
Rot. Bonds5

About 1-(3-methoxypyrazin-2-yl)-3,5,5-trimethylhexan-1-amine

1-(3-methoxypyrazin-2-yl)-3,5,5-trimethylhexan-1-amine (PubChem CID 105031783) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-3,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-3,5,5-trimethylhexan-1-amine
PubChem CID105031783
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(3-methoxypyrazin-2-yl)-3,5,5-trimethylhexan-1-amine
SMILESCOc1nccnc1C(N)CC(C)CC(C)(C)C
InChIInChI=1S/C14H25N3O/c1-10(9-14(2,3)4)8-11(15)12-13(18-5)17-7-6-16-12/h6-7,10-11H,8-9,15H2,1-5H3
InChIKeyOLIYCUNCLVXRNR-UHFFFAOYSA-N
XLogP2.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methoxypyrazin-2-yl)-3,5,5-trimethylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxypyrazin-2-yl)pentan-1-amine
CID 104515880
2-methoxy-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 104515873
1-(3-methoxypyrazin-2-yl)decan-1-amine
CID 105032041
2-ethoxy-1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 116726340
1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol
CID 115831089
2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 105032196
2-(1-methoxycyclobutyl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 103559774
1-(4-methoxy-2-methylphenyl)-3,5,5-trimethylhexan-1-amine
CID 43321087
1-(3-methoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-amine
CID 105178740
1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethanamine
CID 105178685
1-(3-methoxypyrazin-2-yl)-N,3-dimethylpentan-1-amine
CID 105031969
1-(3-methoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105123869

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-3,5,5-trimethylhexan-1-amine?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-3,5,5-trimethylhexan-1-amine (CID 105031783) is 1-(3-methoxypyrazin-2-yl)-3,5,5-trimethylhexan-1-amine.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-3,5,5-trimethylhexan-1-amine?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-3,5,5-trimethylhexan-1-amine is COc1nccnc1C(N)CC(C)CC(C)(C)C.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-3,5,5-trimethylhexan-1-amine?
The InChIKey is OLIYCUNCLVXRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(9-14(2,3)4)8-11(15)12-13(18-5)17-7-6-16-12/h6-7,10-11H,8-9,15H2,1-5H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-3,5,5-trimethylhexan-1-amine?
1-(3-methoxypyrazin-2-yl)-3,5,5-trimethylhexan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-3,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 105031783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).