1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine

C16H25N — CID 156725547

IUPAC1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine
SMILESC=Cc1ccccc1/C=C\C.CCCNCC
InChIInChI=1S/C11H12.C5H13N/c1-3-7-11-9-6-5-8-10(11)4-2;1-3-5-6-4-2/h3-9H,2H2,1H3;6H,3-5H2,1-2H3/b7-3-;
InChIKeyCFRSPDSXRLOASS-WYLUAFJRSA-N
MW231.38 g/mol
LogP4.37
Rot. Bonds5

About 1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine

1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine (PubChem CID 156725547) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine
PubChem CID156725547
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine
SMILESC=Cc1ccccc1/C=C\C.CCCNCC
InChIInChI=1S/C11H12.C5H13N/c1-3-7-11-9-6-5-8-10(11)4-2;1-3-5-6-4-2/h3-9H,2H2,1H3;6H,3-5H2,1-2H3/b7-3-;
InChIKeyCFRSPDSXRLOASS-WYLUAFJRSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane
CID 142250050
N-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine
CID 143541602
1-ethenyl-2-ethyl-3-prop-1-enylbenzene
CID 90726745
1-ethenyl-2-[2-(2-ethenylphenyl)ethenyl]benzene
CID 162779028
1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene
CID 143613386
1,2-bis(ethenyl)benzene;ethane;prop-1-ene
CID 143139503
N-ethyl-2-[(Z)-prop-1-enyl]aniline
CID 145027913
ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene
CID 143566637
1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane
CID 142595555
4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine
CID 76943607
CID 67878092
CID 67878092
1,2-bis(ethenyl)benzene;platinum
CID 175428021

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine?
The IUPAC name of 1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine (CID 156725547) is 1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine.
What is the SMILES notation for 1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine?
The canonical SMILES for 1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine is C=Cc1ccccc1/C=C\C.CCCNCC.
What is the InChIKey of 1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine?
The InChIKey is CFRSPDSXRLOASS-WYLUAFJRSA-N. The full InChI is InChI=1S/C11H12.C5H13N/c1-3-7-11-9-6-5-8-10(11)4-2;1-3-5-6-4-2/h3-9H,2H2,1H3;6H,3-5H2,1-2H3/b7-3-;.
What are the key properties of 1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine?
1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine is sourced from PubChem (CID 156725547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).