6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine

C12H20N4 — CID 79033929

IUPAC6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine
SMILESCC1(C)CCCN(c2cncc(N)n2)CC1
InChIInChI=1S/C12H20N4/c1-12(2)4-3-6-16(7-5-12)11-9-14-8-10(13)15-11/h8-9H,3-7H2,1-2H3,(H2,13,15)
InChIKeyVTZUYSNKQJFGPG-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.08
Rot. Bonds1

About 6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine

6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine (PubChem CID 79033929) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine
PubChem CID79033929
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine
SMILESCC1(C)CCCN(c2cncc(N)n2)CC1
InChIInChI=1S/C12H20N4/c1-12(2)4-3-6-16(7-5-12)11-9-14-8-10(13)15-11/h8-9H,3-7H2,1-2H3,(H2,13,15)
InChIKeyVTZUYSNKQJFGPG-UHFFFAOYSA-N
XLogP2.08
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine?
The IUPAC name of 6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine (CID 79033929) is 6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine.
What is the SMILES notation for 6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine?
The canonical SMILES for 6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine is CC1(C)CCCN(c2cncc(N)n2)CC1.
What is the InChIKey of 6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine?
The InChIKey is VTZUYSNKQJFGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-12(2)4-3-6-16(7-5-12)11-9-14-8-10(13)15-11/h8-9H,3-7H2,1-2H3,(H2,13,15).
What are the key properties of 6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine?
6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine is sourced from PubChem (CID 79033929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).