(1Z,3Z)-5-dibenzofuran-2-yl-3-methylpenta-1,3-dien-1-amine

C18H17NO — CID 145334368

IUPAC(1Z,3Z)-5-dibenzofuran-2-yl-3-methylpenta-1,3-dien-1-amine
SMILESCC(/C=C\N)=C/Cc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H17NO/c1-13(10-11-19)6-7-14-8-9-18-16(12-14)15-4-2-3-5-17(15)20-18/h2-6,8-12H,7,19H2,1H3/b11-10-,13-6-
InChIKeyRXFQKRKVKAVGOV-LYYCVXFUSA-N
MW263.34 g/mol
LogP4.55
Rot. Bonds3

About (1Z,3Z)-5-dibenzofuran-2-yl-3-methylpenta-1,3-dien-1-amine

(1Z,3Z)-5-dibenzofuran-2-yl-3-methylpenta-1,3-dien-1-amine (PubChem CID 145334368) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (1Z,3Z)-5-dibenzofuran-2-yl-3-methylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-dibenzofuran-2-yl-3-methylpenta-1,3-dien-1-amine
PubChem CID145334368
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(1Z,3Z)-5-dibenzofuran-2-yl-3-methylpenta-1,3-dien-1-amine
SMILESCC(/C=C\N)=C/Cc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H17NO/c1-13(10-11-19)6-7-14-8-9-18-16(12-14)15-4-2-3-5-17(15)20-18/h2-6,8-12H,7,19H2,1H3/b11-10-,13-6-
InChIKeyRXFQKRKVKAVGOV-LYYCVXFUSA-N
XLogP4.55
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-5-dibenzofuran-2-yl-3-methylpenta-1,3-dien-1-amine with MolForge

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Related Compounds

2-dibenzofuran-2-ylethanol
CID 567048
1-dibenzofuran-2-ylpropan-2-amine
CID 42647881
2-(2-methylpropyl)dibenzofuran
CID 59877560
3-dibenzofuran-2-ylpropan-1-amine chloride
CID 5351909
(E)-2-[(Z)-2-aminoethenyl]-4-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)but-2-enenitrile
CID 144925399
2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran
CID 59412017
3-dibenzofuran-2-ylpropanoic acid
CID 2728916
5-dibenzofuran-2-ylpentan-1-amine
CID 65300721
5-dibenzofuran-2-yl-N,3-dimethylpentan-1-amine
CID 65304674
N-(dibenzofuran-2-ylmethyl)propan-1-amine
CID 19048253
dibenzofuran;ethanol
CID 174821059
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-dibenzofuran-2-yl-3-methylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-5-dibenzofuran-2-yl-3-methylpenta-1,3-dien-1-amine (CID 145334368) is (1Z,3Z)-5-dibenzofuran-2-yl-3-methylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-dibenzofuran-2-yl-3-methylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-5-dibenzofuran-2-yl-3-methylpenta-1,3-dien-1-amine is CC(/C=C\N)=C/Cc1ccc2oc3ccccc3c2c1.
What is the InChIKey of (1Z,3Z)-5-dibenzofuran-2-yl-3-methylpenta-1,3-dien-1-amine?
The InChIKey is RXFQKRKVKAVGOV-LYYCVXFUSA-N. The full InChI is InChI=1S/C18H17NO/c1-13(10-11-19)6-7-14-8-9-18-16(12-14)15-4-2-3-5-17(15)20-18/h2-6,8-12H,7,19H2,1H3/b11-10-,13-6-.
What are the key properties of (1Z,3Z)-5-dibenzofuran-2-yl-3-methylpenta-1,3-dien-1-amine?
(1Z,3Z)-5-dibenzofuran-2-yl-3-methylpenta-1,3-dien-1-amine has a molecular weight of 263.34 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-dibenzofuran-2-yl-3-methylpenta-1,3-dien-1-amine is sourced from PubChem (CID 145334368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).