1-but-1-en-2-yl-5-(3,3-dimethylpiperazin-1-yl)-3-methylpyridin-2-imine

C16H26N4 — CID 123733887

IUPAC1-but-1-en-2-yl-5-(3,3-dimethylpiperazin-1-yl)-3-methylpyridin-2-imine
SMILES[H]/N=c1\c(C)cc(N2CCNC(C)(C)C2)cn1C(=C)CC
InChIInChI=1S/C16H26N4/c1-6-13(3)20-10-14(9-12(2)15(20)17)19-8-7-18-16(4,5)11-19/h9-10,17-18H,3,6-8,11H2,1-2,4-5H3/b17-15+
InChIKeyYLNCRRLWIQCJAR-BMRADRMJSA-N
MW274.41 g/mol
LogP2.34
Rot. Bonds3

About 1-but-1-en-2-yl-5-(3,3-dimethylpiperazin-1-yl)-3-methylpyridin-2-imine

1-but-1-en-2-yl-5-(3,3-dimethylpiperazin-1-yl)-3-methylpyridin-2-imine (PubChem CID 123733887) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-but-1-en-2-yl-5-(3,3-dimethylpiperazin-1-yl)-3-methylpyridin-2-imine.

Molecular Properties

Compound Name1-but-1-en-2-yl-5-(3,3-dimethylpiperazin-1-yl)-3-methylpyridin-2-imine
PubChem CID123733887
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-but-1-en-2-yl-5-(3,3-dimethylpiperazin-1-yl)-3-methylpyridin-2-imine
SMILES[H]/N=c1\c(C)cc(N2CCNC(C)(C)C2)cn1C(=C)CC
InChIInChI=1S/C16H26N4/c1-6-13(3)20-10-14(9-12(2)15(20)17)19-8-7-18-16(4,5)11-19/h9-10,17-18H,3,6-8,11H2,1-2,4-5H3/b17-15+
InChIKeyYLNCRRLWIQCJAR-BMRADRMJSA-N
XLogP2.34
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1E)-2-(4,4-dimethylpiperazin-4-ium-1-yl)-2-imino-1-(1H-pyridin-2-ylidene)ethanamine
CID 137215408
N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine
CID 143096898
ethane;(Z)-1-[6-ethyl-4-(piperazin-1-ylmethyl)-2H-pyridin-1-yl]-N-(methylideneamino)ethanimine
CID 144492309

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-5-(3,3-dimethylpiperazin-1-yl)-3-methylpyridin-2-imine?
The IUPAC name of 1-but-1-en-2-yl-5-(3,3-dimethylpiperazin-1-yl)-3-methylpyridin-2-imine (CID 123733887) is 1-but-1-en-2-yl-5-(3,3-dimethylpiperazin-1-yl)-3-methylpyridin-2-imine.
What is the SMILES notation for 1-but-1-en-2-yl-5-(3,3-dimethylpiperazin-1-yl)-3-methylpyridin-2-imine?
The canonical SMILES for 1-but-1-en-2-yl-5-(3,3-dimethylpiperazin-1-yl)-3-methylpyridin-2-imine is [H]/N=c1\c(C)cc(N2CCNC(C)(C)C2)cn1C(=C)CC.
What is the InChIKey of 1-but-1-en-2-yl-5-(3,3-dimethylpiperazin-1-yl)-3-methylpyridin-2-imine?
The InChIKey is YLNCRRLWIQCJAR-BMRADRMJSA-N. The full InChI is InChI=1S/C16H26N4/c1-6-13(3)20-10-14(9-12(2)15(20)17)19-8-7-18-16(4,5)11-19/h9-10,17-18H,3,6-8,11H2,1-2,4-5H3/b17-15+.
What are the key properties of 1-but-1-en-2-yl-5-(3,3-dimethylpiperazin-1-yl)-3-methylpyridin-2-imine?
1-but-1-en-2-yl-5-(3,3-dimethylpiperazin-1-yl)-3-methylpyridin-2-imine has a molecular weight of 274.41 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-5-(3,3-dimethylpiperazin-1-yl)-3-methylpyridin-2-imine is sourced from PubChem (CID 123733887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).