ethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene

C16H25N — CID 145141205

IUPACethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene
SMILESC/C=C/N(CC)c1ccccc1.C=C.C=CC
InChIInChI=1S/C11H15N.C3H6.C2H4/c1-3-10-12(4-2)11-8-6-5-7-9-11;1-3-2;1-2/h3,5-10H,4H2,1-2H3;3H,1H2,2H3;1-2H2/b10-3+;;
InChIKeyIQMDQCUILUYJSD-PRAOPCELSA-N
MW231.38 g/mol
LogP5.04
Rot. Bonds3

About ethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene

ethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene (PubChem CID 145141205) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is ethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene.

Molecular Properties

Compound Nameethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene
PubChem CID145141205
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Nameethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene
SMILESC/C=C/N(CC)c1ccccc1.C=C.C=CC
InChIInChI=1S/C11H15N.C3H6.C2H4/c1-3-10-12(4-2)11-8-6-5-7-9-11;1-3-2;1-2/h3,5-10H,4H2,1-2H3;3H,1H2,2H3;1-2H2/b10-3+;;
InChIKeyIQMDQCUILUYJSD-PRAOPCELSA-N
XLogP5.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 22151150
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N,N-diphenylaniline;ethene
CID 135186601
N,N-diethylaniline
CID 7061
N-butyl-N-phenylmethaneselenoamide
CID 10490195
N-phenyl-N-propylformamide
CID 19362602
ethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane
CID 144687223
N-ethyl-N-pent-1-en-3-ylaniline
CID 141318240

Frequently Asked Questions

What is the IUPAC name of ethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene?
The IUPAC name of ethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene (CID 145141205) is ethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene.
What is the SMILES notation for ethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene?
The canonical SMILES for ethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene is C/C=C/N(CC)c1ccccc1.C=C.C=CC.
What is the InChIKey of ethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene?
The InChIKey is IQMDQCUILUYJSD-PRAOPCELSA-N. The full InChI is InChI=1S/C11H15N.C3H6.C2H4/c1-3-10-12(4-2)11-8-6-5-7-9-11;1-3-2;1-2/h3,5-10H,4H2,1-2H3;3H,1H2,2H3;1-2H2/b10-3+;;.
What are the key properties of ethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene?
ethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene has a molecular weight of 231.38 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene is sourced from PubChem (CID 145141205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).