N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]dibenzofuran-4-amine

C18H17NO — CID 145027861

IUPACN-[(1Z,3Z)-3-methylpenta-1,3-dienyl]dibenzofuran-4-amine
SMILESC/C=C(C)\C=C/Nc1cccc2c1oc1ccccc12
InChIInChI=1S/C18H17NO/c1-3-13(2)11-12-19-16-9-6-8-15-14-7-4-5-10-17(14)20-18(15)16/h3-12,19H,1-2H3/b12-11-,13-3-
InChIKeyUABRZYPWYGXPOK-ZWTPQFIZSA-N
MW263.34 g/mol
LogP5.48
Rot. Bonds3

About N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]dibenzofuran-4-amine

N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]dibenzofuran-4-amine (PubChem CID 145027861) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[(1Z,3Z)-3-methylpenta-1,3-dienyl]dibenzofuran-4-amine
PubChem CID145027861
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC NameN-[(1Z,3Z)-3-methylpenta-1,3-dienyl]dibenzofuran-4-amine
SMILESC/C=C(C)\C=C/Nc1cccc2c1oc1ccccc12
InChIInChI=1S/C18H17NO/c1-3-13(2)11-12-19-16-9-6-8-15-14-7-4-5-10-17(14)20-18(15)16/h3-12,19H,1-2H3/b12-11-,13-3-
InChIKeyUABRZYPWYGXPOK-ZWTPQFIZSA-N
XLogP5.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.34
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]dibenzofuran-4-amine
CID 145212273
ethane;N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]dibenzofuran-4-amine
CID 145027907
(Z)-N-([1]benzofuro[3,2-b][1]benzofuran-1-yl)-N'-methyl-N'-propan-2-ylethene-1,2-diamine
CID 170113170
N-dibenzofuran-4-ylpropanamide
CID 138533625
N-dibenzofuran-1-yldibenzofuran-4-amine
CID 138484831
N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine
CID 172539034
1-dibenzofuran-4-ylethanone
CID 15691981
N-dibenzofuran-4-ylacetamide;furan-3-amine
CID 130442781
4-methyldibenzofuran;(Z)-pent-3-en-2-imine
CID 145299521
N-(2-methylbutyl)dibenzofuran-4-amine
CID 167309390
N-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804074
N-(6-oxobenzo[c]chromen-7-yl)acetamide
CID 69024767

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]dibenzofuran-4-amine?
The IUPAC name of N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]dibenzofuran-4-amine (CID 145027861) is N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]dibenzofuran-4-amine.
What is the SMILES notation for N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]dibenzofuran-4-amine?
The canonical SMILES for N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]dibenzofuran-4-amine is C/C=C(C)\C=C/Nc1cccc2c1oc1ccccc12.
What is the InChIKey of N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]dibenzofuran-4-amine?
The InChIKey is UABRZYPWYGXPOK-ZWTPQFIZSA-N. The full InChI is InChI=1S/C18H17NO/c1-3-13(2)11-12-19-16-9-6-8-15-14-7-4-5-10-17(14)20-18(15)16/h3-12,19H,1-2H3/b12-11-,13-3-.
What are the key properties of N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]dibenzofuran-4-amine?
N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]dibenzofuran-4-amine has a molecular weight of 263.34 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]dibenzofuran-4-amine is sourced from PubChem (CID 145027861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).