2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine

C16H28N4 — CID 66449530

IUPAC2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cncc(N2CCCC(C)CC2)n1
InChIInChI=1S/C16H28N4/c1-13(2)9-17-10-15-11-18-12-16(19-15)20-7-4-5-14(3)6-8-20/h11-14,17H,4-10H2,1-3H3
InChIKeyLDVWQOYEKMSYFJ-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.85
Rot. Bonds5

About 2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine

2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 66449530) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID66449530
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cncc(N2CCCC(C)CC2)n1
InChIInChI=1S/C16H28N4/c1-13(2)9-17-10-15-11-18-12-16(19-15)20-7-4-5-14(3)6-8-20/h11-14,17H,4-10H2,1-3H3
InChIKeyLDVWQOYEKMSYFJ-UHFFFAOYSA-N
XLogP2.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine (CID 66449530) is 2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine is CC(C)CNCc1cncc(N2CCCC(C)CC2)n1.
What is the InChIKey of 2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is LDVWQOYEKMSYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13(2)9-17-10-15-11-18-12-16(19-15)20-7-4-5-14(3)6-8-20/h11-14,17H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66449530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).