5-[1-(butylamino)ethenyl]-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-2-methylaniline

C20H26N2 — CID 144513961

IUPAC5-[1-(butylamino)ethenyl]-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-2-methylaniline
SMILESC=C(Nc1cc(C(=C)NCCCC)ccc1C)C1=CC=CC1
InChIInChI=1S/C20H26N2/c1-5-6-13-21-16(3)19-12-11-15(2)20(14-19)22-17(4)18-9-7-8-10-18/h7-9,11-12,14,21-22H,3-6,10,13H2,1-2H3
InChIKeySQXXFTDVUHZOOD-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.17
Rot. Bonds8

About 5-[1-(butylamino)ethenyl]-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-2-methylaniline

5-[1-(butylamino)ethenyl]-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-2-methylaniline (PubChem CID 144513961) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-[1-(butylamino)ethenyl]-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-2-methylaniline.

Molecular Properties

Compound Name5-[1-(butylamino)ethenyl]-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-2-methylaniline
PubChem CID144513961
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name5-[1-(butylamino)ethenyl]-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-2-methylaniline
SMILESC=C(Nc1cc(C(=C)NCCCC)ccc1C)C1=CC=CC1
InChIInChI=1S/C20H26N2/c1-5-6-13-21-16(3)19-12-11-15(2)20(14-19)22-17(4)18-9-7-8-10-18/h7-9,11-12,14,21-22H,3-6,10,13H2,1-2H3
InChIKeySQXXFTDVUHZOOD-UHFFFAOYSA-N
XLogP5.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(butylamino)ethenyl]-N-[1-(2-methylphenyl)ethenyl]-2-[4-(2-methylphenyl)piperazin-1-yl]aniline;2-methylhex-1-ene
CID 144514353
N-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine
CID 156841468
1-butyl-3-[5-[(carbamoylamino)carbamoyl]-2-methylphenyl]urea
CID 166386334
N-[1-[4-methyl-3-[2-(1,3-thiazol-4-yl)prop-2-enyl]phenyl]ethenyl]butan-1-amine
CID 144514179
N-[5-(butylcarbamoyl)-2-methylphenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 22554017
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
4-methyl-3-(octadecanoylamino)benzoic acid
CID 12800027
4-methyl-3-(2-methylprop-2-enylcarbamoylamino)benzoic acid
CID 114618004
1-butyl-3-[3-(butylcarbamoylamino)-4-methylphenyl]urea
CID 4569722
N-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine
CID 142928998
4-[1-(butylamino)ethenyl]-2-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]-1-N,1-N-dipropylbenzene-1,2-diamine
CID 144514175
N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844769

Frequently Asked Questions

What is the IUPAC name of 5-[1-(butylamino)ethenyl]-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-2-methylaniline?
The IUPAC name of 5-[1-(butylamino)ethenyl]-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-2-methylaniline (CID 144513961) is 5-[1-(butylamino)ethenyl]-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-2-methylaniline.
What is the SMILES notation for 5-[1-(butylamino)ethenyl]-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-2-methylaniline?
The canonical SMILES for 5-[1-(butylamino)ethenyl]-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-2-methylaniline is C=C(Nc1cc(C(=C)NCCCC)ccc1C)C1=CC=CC1.
What is the InChIKey of 5-[1-(butylamino)ethenyl]-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-2-methylaniline?
The InChIKey is SQXXFTDVUHZOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-5-6-13-21-16(3)19-12-11-15(2)20(14-19)22-17(4)18-9-7-8-10-18/h7-9,11-12,14,21-22H,3-6,10,13H2,1-2H3.
What are the key properties of 5-[1-(butylamino)ethenyl]-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-2-methylaniline?
5-[1-(butylamino)ethenyl]-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-2-methylaniline has a molecular weight of 294.44 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(butylamino)ethenyl]-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-2-methylaniline is sourced from PubChem (CID 144513961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).