N-[(2Z)-2-(1-ethenyl-4,6-dimethylpyrimidin-2-ylidene)ethyl]butan-1-amine

C14H23N3 — CID 121330181

IUPACN-[(2Z)-2-(1-ethenyl-4,6-dimethylpyrimidin-2-ylidene)ethyl]butan-1-amine
SMILESC=CN1C(C)=CC(C)=N/C1=C\CNCCCC
InChIInChI=1S/C14H23N3/c1-5-7-9-15-10-8-14-16-12(3)11-13(4)17(14)6-2/h6,8,11,15H,2,5,7,9-10H2,1,3-4H3/b14-8+
InChIKeyIICGVSLDBXUSDR-RIYZIHGNSA-N
MW233.36 g/mol
LogP3.04
Rot. Bonds6

About N-[(2Z)-2-(1-ethenyl-4,6-dimethylpyrimidin-2-ylidene)ethyl]butan-1-amine

N-[(2Z)-2-(1-ethenyl-4,6-dimethylpyrimidin-2-ylidene)ethyl]butan-1-amine (PubChem CID 121330181) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(2Z)-2-(1-ethenyl-4,6-dimethylpyrimidin-2-ylidene)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[(2Z)-2-(1-ethenyl-4,6-dimethylpyrimidin-2-ylidene)ethyl]butan-1-amine
PubChem CID121330181
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[(2Z)-2-(1-ethenyl-4,6-dimethylpyrimidin-2-ylidene)ethyl]butan-1-amine
SMILESC=CN1C(C)=CC(C)=N/C1=C\CNCCCC
InChIInChI=1S/C14H23N3/c1-5-7-9-15-10-8-14-16-12(3)11-13(4)17(14)6-2/h6,8,11,15H,2,5,7,9-10H2,1,3-4H3/b14-8+
InChIKeyIICGVSLDBXUSDR-RIYZIHGNSA-N
XLogP3.04
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-(1-ethenyl-4,6-dimethylpyrimidin-2-ylidene)ethyl]butan-1-amine?
The IUPAC name of N-[(2Z)-2-(1-ethenyl-4,6-dimethylpyrimidin-2-ylidene)ethyl]butan-1-amine (CID 121330181) is N-[(2Z)-2-(1-ethenyl-4,6-dimethylpyrimidin-2-ylidene)ethyl]butan-1-amine.
What is the SMILES notation for N-[(2Z)-2-(1-ethenyl-4,6-dimethylpyrimidin-2-ylidene)ethyl]butan-1-amine?
The canonical SMILES for N-[(2Z)-2-(1-ethenyl-4,6-dimethylpyrimidin-2-ylidene)ethyl]butan-1-amine is C=CN1C(C)=CC(C)=N/C1=C\CNCCCC.
What is the InChIKey of N-[(2Z)-2-(1-ethenyl-4,6-dimethylpyrimidin-2-ylidene)ethyl]butan-1-amine?
The InChIKey is IICGVSLDBXUSDR-RIYZIHGNSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-7-9-15-10-8-14-16-12(3)11-13(4)17(14)6-2/h6,8,11,15H,2,5,7,9-10H2,1,3-4H3/b14-8+.
What are the key properties of N-[(2Z)-2-(1-ethenyl-4,6-dimethylpyrimidin-2-ylidene)ethyl]butan-1-amine?
N-[(2Z)-2-(1-ethenyl-4,6-dimethylpyrimidin-2-ylidene)ethyl]butan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-(1-ethenyl-4,6-dimethylpyrimidin-2-ylidene)ethyl]butan-1-amine is sourced from PubChem (CID 121330181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).