3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-pent-4-en-2-ylaniline

C19H25N — CID 138518273

IUPAC3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-pent-4-en-2-ylaniline
SMILESC=CCC(C)N(CC)c1cccc(C2=CCCC=C2)c1
InChIInChI=1S/C19H25N/c1-4-10-16(3)20(5-2)19-14-9-13-18(15-19)17-11-7-6-8-12-17/h4,7,9,11-16H,1,5-6,8,10H2,2-3H3
InChIKeyREFRXYYBDBCPSR-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.21
Rot. Bonds6

About 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-pent-4-en-2-ylaniline

3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-pent-4-en-2-ylaniline (PubChem CID 138518273) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-pent-4-en-2-ylaniline.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-pent-4-en-2-ylaniline
PubChem CID138518273
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-pent-4-en-2-ylaniline
SMILESC=CCC(C)N(CC)c1cccc(C2=CCCC=C2)c1
InChIInChI=1S/C19H25N/c1-4-10-16(3)20(5-2)19-14-9-13-18(15-19)17-11-7-6-8-12-17/h4,7,9,11-16H,1,5-6,8,10H2,2-3H3
InChIKeyREFRXYYBDBCPSR-UHFFFAOYSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.21
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

but-2-ene;N-(3-cyclohexa-1,5-dien-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 144590575
N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-N,3-dimethylaniline
CID 143685243
1-N,3-N-bis(4-tert-butylphenyl)-3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 123682396
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene
CID 144527503
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene
CID 143808839
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone
CID 126694355
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(4-phenylphenyl)-3-[9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]aniline
CID 145084846
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170299190

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-pent-4-en-2-ylaniline?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-pent-4-en-2-ylaniline (CID 138518273) is 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-pent-4-en-2-ylaniline.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-pent-4-en-2-ylaniline?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-pent-4-en-2-ylaniline is C=CCC(C)N(CC)c1cccc(C2=CCCC=C2)c1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-pent-4-en-2-ylaniline?
The InChIKey is REFRXYYBDBCPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-4-10-16(3)20(5-2)19-14-9-13-18(15-19)17-11-7-6-8-12-17/h4,7,9,11-16H,1,5-6,8,10H2,2-3H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-pent-4-en-2-ylaniline?
3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-pent-4-en-2-ylaniline has a molecular weight of 267.42 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-pent-4-en-2-ylaniline is sourced from PubChem (CID 138518273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).