(2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-dibutylpenta-2,4-dien-1-amine

C20H29NO2 — CID 53302952

IUPAC(2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-dibutylpenta-2,4-dien-1-amine
SMILESCCCCN(C/C=C/C=C/c1ccc2c(c1)OCO2)CCCC
InChIInChI=1S/C20H29NO2/c1-3-5-13-21(14-6-4-2)15-9-7-8-10-18-11-12-19-20(16-18)23-17-22-19/h7-12,16H,3-6,13-15,17H2,1-2H3/b9-7+,10-8+
InChIKeyWMTVOQZGKMINQC-FIFLTTCUSA-N
MW315.46 g/mol
LogP4.89
Rot. Bonds10

About (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-dibutylpenta-2,4-dien-1-amine

(2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-dibutylpenta-2,4-dien-1-amine (PubChem CID 53302952) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-dibutylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-dibutylpenta-2,4-dien-1-amine
PubChem CID53302952
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name(2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-dibutylpenta-2,4-dien-1-amine
SMILESCCCCN(C/C=C/C=C/c1ccc2c(c1)OCO2)CCCC
InChIInChI=1S/C20H29NO2/c1-3-5-13-21(14-6-4-2)15-9-7-8-10-18-11-12-19-20(16-18)23-17-22-19/h7-12,16H,3-6,13-15,17H2,1-2H3/b9-7+,10-8+
InChIKeyWMTVOQZGKMINQC-FIFLTTCUSA-N
XLogP4.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-butyl-N-methylpenta-2,4-dienamide
CID 53302838
5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide
CID 123527909
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide
CID 90335471
5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide
CID 3054389
(E)-1-(1,3-benzodioxol-5-yl)hept-1-en-3-one
CID 6433760
(E)-3-(1,3-benzodioxol-5-yl)prop-2-enal
CID 5374493
formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 6442051
5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide
CID 3065846
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)butan-1-amine
CID 140557778
(Z)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
CID 5385558
(2E)-5-(1,3-benzodioxol-5-yl)-N,N-bis(2-chloroethyl)penta-2,4-dienamide
CID 88784314
5-[(E)-2-[7-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-9-methyl-9-propylfluoren-2-yl]ethenyl]-1,3-benzodioxole
CID 59815185

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-dibutylpenta-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-dibutylpenta-2,4-dien-1-amine (CID 53302952) is (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-dibutylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-dibutylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-dibutylpenta-2,4-dien-1-amine is CCCCN(C/C=C/C=C/c1ccc2c(c1)OCO2)CCCC.
What is the InChIKey of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-dibutylpenta-2,4-dien-1-amine?
The InChIKey is WMTVOQZGKMINQC-FIFLTTCUSA-N. The full InChI is InChI=1S/C20H29NO2/c1-3-5-13-21(14-6-4-2)15-9-7-8-10-18-11-12-19-20(16-18)23-17-22-19/h7-12,16H,3-6,13-15,17H2,1-2H3/b9-7+,10-8+.
What are the key properties of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-dibutylpenta-2,4-dien-1-amine?
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-dibutylpenta-2,4-dien-1-amine has a molecular weight of 315.46 g/mol, XLogP of 4.89, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-dibutylpenta-2,4-dien-1-amine is sourced from PubChem (CID 53302952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).