3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine

C11H21N5 — CID 102984055

IUPAC3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine
SMILESCC(C)C(CN(C)C)Nc1nccnc1N
InChIInChI=1S/C11H21N5/c1-8(2)9(7-16(3)4)15-11-10(12)13-5-6-14-11/h5-6,8-9H,7H2,1-4H3,(H2,12,13)(H,14,15)
InChIKeyWFDSTLWJJZXXHN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.06
Rot. Bonds5

About 3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine

3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine (PubChem CID 102984055) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine
PubChem CID102984055
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine
SMILESCC(C)C(CN(C)C)Nc1nccnc1N
InChIInChI=1S/C11H21N5/c1-8(2)9(7-16(3)4)15-11-10(12)13-5-6-14-11/h5-6,8-9H,7H2,1-4H3,(H2,12,13)(H,14,15)
InChIKeyWFDSTLWJJZXXHN-UHFFFAOYSA-N
XLogP1.06
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine?
The IUPAC name of 3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine (CID 102984055) is 3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine?
The canonical SMILES for 3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine is CC(C)C(CN(C)C)Nc1nccnc1N.
What is the InChIKey of 3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine?
The InChIKey is WFDSTLWJJZXXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-8(2)9(7-16(3)4)15-11-10(12)13-5-6-14-11/h5-6,8-9H,7H2,1-4H3,(H2,12,13)(H,14,15).
What are the key properties of 3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine?
3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine is sourced from PubChem (CID 102984055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).