2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline

C14H17N — CID 142908128

IUPAC2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline
SMILESC=C/C=C(\C=C)Cc1ccccc1NC
InChIInChI=1S/C14H17N/c1-4-8-12(5-2)11-13-9-6-7-10-14(13)15-3/h4-10,15H,1-2,11H2,3H3/b12-8+
InChIKeyLBJCRVBRCZLRDK-XYOKQWHBSA-N
MW199.30 g/mol
LogP3.57
Rot. Bonds5

About 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline

2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline (PubChem CID 142908128) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline.

Molecular Properties

Compound Name2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline
PubChem CID142908128
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline
SMILESC=C/C=C(\C=C)Cc1ccccc1NC
InChIInChI=1S/C14H17N/c1-4-8-12(5-2)11-13-9-6-7-10-14(13)15-3/h4-10,15H,1-2,11H2,3H3/b12-8+
InChIKeyLBJCRVBRCZLRDK-XYOKQWHBSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene
CID 142233164
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane
CID 143940150
ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine
CID 145149493
2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylaniline
CID 142908108
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene
CID 145283971
3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline
CID 143380656
N-methyl-2-(methylaminomethyl)aniline
CID 576504
2-[(2Z,4E,6E,9Z)-7-cyclohexyl-2-ethenyl-5,6,11-trimethyl-8-propan-2-ylidenedodeca-2,4,6,9,11-pentaenyl]-N-methylaniline;methanethiol
CID 143093877
2-hept-6-enyl-N-methylaniline
CID 166715276
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
(2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine
CID 143927593
ethane;ethylbenzene;(3Z)-3-ethylhexa-1,3,5-triene
CID 171543969

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline?
The IUPAC name of 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline (CID 142908128) is 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline.
What is the SMILES notation for 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline?
The canonical SMILES for 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline is C=C/C=C(\C=C)Cc1ccccc1NC.
What is the InChIKey of 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline?
The InChIKey is LBJCRVBRCZLRDK-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H17N/c1-4-8-12(5-2)11-13-9-6-7-10-14(13)15-3/h4-10,15H,1-2,11H2,3H3/b12-8+.
What are the key properties of 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline?
2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline has a molecular weight of 199.30 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline is sourced from PubChem (CID 142908128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).