(1Z)-1-[1-[(Z)-but-2-en-2-yl]pyrazin-2-ylidene]-2,2-dimethylpropan-1-amine

C13H21N3 — CID 146480160

IUPAC(1Z)-1-[1-[(Z)-but-2-en-2-yl]pyrazin-2-ylidene]-2,2-dimethylpropan-1-amine
SMILESC/C=C(/C)N1C=CN=C/C1=C(/N)C(C)(C)C
InChIInChI=1S/C13H21N3/c1-6-10(2)16-8-7-15-9-11(16)12(14)13(3,4)5/h6-9H,14H2,1-5H3/b10-6-,12-11-
InChIKeyJNEYDRYYTPKXDV-RCGVWGGBSA-N
MW219.33 g/mol
LogP2.98
Rot. Bonds1

About (1Z)-1-[1-[(Z)-but-2-en-2-yl]pyrazin-2-ylidene]-2,2-dimethylpropan-1-amine

(1Z)-1-[1-[(Z)-but-2-en-2-yl]pyrazin-2-ylidene]-2,2-dimethylpropan-1-amine (PubChem CID 146480160) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (1Z)-1-[1-[(Z)-but-2-en-2-yl]pyrazin-2-ylidene]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1Z)-1-[1-[(Z)-but-2-en-2-yl]pyrazin-2-ylidene]-2,2-dimethylpropan-1-amine
PubChem CID146480160
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(1Z)-1-[1-[(Z)-but-2-en-2-yl]pyrazin-2-ylidene]-2,2-dimethylpropan-1-amine
SMILESC/C=C(/C)N1C=CN=C/C1=C(/N)C(C)(C)C
InChIInChI=1S/C13H21N3/c1-6-10(2)16-8-7-15-9-11(16)12(14)13(3,4)5/h6-9H,14H2,1-5H3/b10-6-,12-11-
InChIKeyJNEYDRYYTPKXDV-RCGVWGGBSA-N
XLogP2.98
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[1-[(Z)-but-2-en-2-yl]pyrazin-2-ylidene]-2,2-dimethylpropan-1-amine?
The IUPAC name of (1Z)-1-[1-[(Z)-but-2-en-2-yl]pyrazin-2-ylidene]-2,2-dimethylpropan-1-amine (CID 146480160) is (1Z)-1-[1-[(Z)-but-2-en-2-yl]pyrazin-2-ylidene]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1Z)-1-[1-[(Z)-but-2-en-2-yl]pyrazin-2-ylidene]-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1Z)-1-[1-[(Z)-but-2-en-2-yl]pyrazin-2-ylidene]-2,2-dimethylpropan-1-amine is C/C=C(/C)N1C=CN=C/C1=C(/N)C(C)(C)C.
What is the InChIKey of (1Z)-1-[1-[(Z)-but-2-en-2-yl]pyrazin-2-ylidene]-2,2-dimethylpropan-1-amine?
The InChIKey is JNEYDRYYTPKXDV-RCGVWGGBSA-N. The full InChI is InChI=1S/C13H21N3/c1-6-10(2)16-8-7-15-9-11(16)12(14)13(3,4)5/h6-9H,14H2,1-5H3/b10-6-,12-11-.
What are the key properties of (1Z)-1-[1-[(Z)-but-2-en-2-yl]pyrazin-2-ylidene]-2,2-dimethylpropan-1-amine?
(1Z)-1-[1-[(Z)-but-2-en-2-yl]pyrazin-2-ylidene]-2,2-dimethylpropan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[1-[(Z)-but-2-en-2-yl]pyrazin-2-ylidene]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 146480160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).