2-N-butan-2-yl-2-N-butylpyrazine-2,6-diamine

C12H22N4 — CID 80647917

IUPAC2-N-butan-2-yl-2-N-butylpyrazine-2,6-diamine
SMILESCCCCN(c1cncc(N)n1)C(C)CC
InChIInChI=1S/C12H22N4/c1-4-6-7-16(10(3)5-2)12-9-14-8-11(13)15-12/h8-10H,4-7H2,1-3H3,(H2,13,15)
InChIKeySTZROOHVYLYGMA-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.46
Rot. Bonds6

About 2-N-butan-2-yl-2-N-butylpyrazine-2,6-diamine

2-N-butan-2-yl-2-N-butylpyrazine-2,6-diamine (PubChem CID 80647917) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-butylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-butylpyrazine-2,6-diamine
PubChem CID80647917
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-N-butan-2-yl-2-N-butylpyrazine-2,6-diamine
SMILESCCCCN(c1cncc(N)n1)C(C)CC
InChIInChI=1S/C12H22N4/c1-4-6-7-16(10(3)5-2)12-9-14-8-11(13)15-12/h8-10H,4-7H2,1-3H3,(H2,13,15)
InChIKeySTZROOHVYLYGMA-UHFFFAOYSA-N
XLogP2.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine
CID 80735715
4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine
CID 114285848
4-N-butan-2-yl-4-N-butylpyrimidine-4,5-diamine
CID 79915760
5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine
CID 55000369
2-N-butan-2-yl-2-N-butyl-6-ethoxypyridine-2,5-diamine
CID 63406023
5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 113423883
2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine
CID 82952490
2-N-[3-(diethylamino)propyl]-2-N-ethylpyrazine-2,6-diamine
CID 102998767
5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990581
N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine
CID 55197665
4-(1-aminoethyl)-N-butan-2-yl-N-butylaniline
CID 55005473
N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80632466

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-butylpyrazine-2,6-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-butylpyrazine-2,6-diamine (CID 80647917) is 2-N-butan-2-yl-2-N-butylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-butylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-butylpyrazine-2,6-diamine is CCCCN(c1cncc(N)n1)C(C)CC.
What is the InChIKey of 2-N-butan-2-yl-2-N-butylpyrazine-2,6-diamine?
The InChIKey is STZROOHVYLYGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-6-7-16(10(3)5-2)12-9-14-8-11(13)15-12/h8-10H,4-7H2,1-3H3,(H2,13,15).
What are the key properties of 2-N-butan-2-yl-2-N-butylpyrazine-2,6-diamine?
2-N-butan-2-yl-2-N-butylpyrazine-2,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-butylpyrazine-2,6-diamine is sourced from PubChem (CID 80647917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).