N-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine

C13H19N3 — CID 123199380

IUPACN-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine
SMILESC=CC=c1nc(C)c(NC(C)CC)nc1=C
InChIInChI=1S/C13H19N3/c1-6-8-12-10(4)16-13(11(5)15-12)14-9(3)7-2/h6,8-9H,1,4,7H2,2-3,5H3,(H,14,16)
InChIKeyITWNLUGEEPBXBC-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.37
Rot. Bonds4

About N-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine

N-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine (PubChem CID 123199380) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine
PubChem CID123199380
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine
SMILESC=CC=c1nc(C)c(NC(C)CC)nc1=C
InChIInChI=1S/C13H19N3/c1-6-8-12-10(4)16-13(11(5)15-12)14-9(3)7-2/h6,8-9H,1,4,7H2,2-3,5H3,(H,14,16)
InChIKeyITWNLUGEEPBXBC-UHFFFAOYSA-N
XLogP1.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide
CID 121279957
N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine
CID 123441248
N-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine
CID 123618590
1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]-N-methylmethanamine
CID 141929515
(2E,4Z)-N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]hepta-2,4,6-trien-2-amine
CID 145111066
(5E)-N-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine
CID 145632103
(2Z)-4-amino-N'-methyl-N-propylpenta-2,4-dienimidamide
CID 149536002
N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide;N,N-dimethylpropan-1-amine
CID 159102531
(2Z)-4-(butylamino)-N'-methyl-N-propylpenta-2,4-dienimidamide;ethane
CID 170791131
ethane;4-methyl-2-propan-2-yl-5,6-dihydro-1H-imidazo[4,5-c]pyridine
CID 171090181
(5E)-5-[(Z)-but-2-enylidene]-2-ethyl-1,4-dihydroimidazole
CID 141876032
(1Z)-N-methyl-1-[(5E)-2-methyl-5-prop-2-enylidene-1-propylimidazol-4-ylidene]ethanamine
CID 145479940

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine?
The IUPAC name of N-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine (CID 123199380) is N-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine.
What is the SMILES notation for N-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine?
The canonical SMILES for N-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine is C=CC=c1nc(C)c(NC(C)CC)nc1=C.
What is the InChIKey of N-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine?
The InChIKey is ITWNLUGEEPBXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-6-8-12-10(4)16-13(11(5)15-12)14-9(3)7-2/h6,8-9H,1,4,7H2,2-3,5H3,(H,14,16).
What are the key properties of N-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine?
N-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine has a molecular weight of 217.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine is sourced from PubChem (CID 123199380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).