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

C19H19NO — CID 145212273

IUPACN-[(1Z,3Z)-3-methylhexa-1,3-dienyl]dibenzofuran-4-amine
SMILESCC/C=C(C)\C=C/Nc1cccc2c1oc1ccccc12
InChIInChI=1S/C19H19NO/c1-3-7-14(2)12-13-20-17-10-6-9-16-15-8-4-5-11-18(15)21-19(16)17/h4-13,20H,3H2,1-2H3/b13-12-,14-7-
InChIKeyNHWDAOJLPWKKOT-LRRHXLOMSA-N
MW277.37 g/mol
LogP5.87
Rot. Bonds4

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

N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]dibenzofuran-4-amine (PubChem CID 145212273) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[(1Z,3Z)-3-methylhexa-1,3-dienyl]dibenzofuran-4-amine
PubChem CID145212273
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN-[(1Z,3Z)-3-methylhexa-1,3-dienyl]dibenzofuran-4-amine
SMILESCC/C=C(C)\C=C/Nc1cccc2c1oc1ccccc12
InChIInChI=1S/C19H19NO/c1-3-7-14(2)12-13-20-17-10-6-9-16-15-8-4-5-11-18(15)21-19(16)17/h4-13,20H,3H2,1-2H3/b13-12-,14-7-
InChIKeyNHWDAOJLPWKKOT-LRRHXLOMSA-N
XLogP5.87
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.37
LogP ≤ 55.87
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-methylpenta-1,3-dienyl]dibenzofuran-4-amine
CID 145027861
ethane;N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]dibenzofuran-4-amine
CID 145027907
4-pent-2-en-2-yldibenzofuran
CID 123566469
N-dibenzofuran-4-ylpropanamide
CID 138533625
N-(2-methylbutyl)dibenzofuran-4-amine
CID 167309390
(Z)-N-([1]benzofuro[3,2-b][1]benzofuran-1-yl)-N'-methyl-N'-propan-2-ylethene-1,2-diamine
CID 170113170
4-but-1-enyldibenzofuran
CID 154131929
N-dibenzofuran-1-yldibenzofuran-4-amine
CID 138484831
N-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804074
N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine
CID 172539034
dibenzofuran;ethanol
CID 174821059
1-dibenzofuran-4-ylethanone
CID 15691981

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]dibenzofuran-4-amine?
The IUPAC name of N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]dibenzofuran-4-amine (CID 145212273) is N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]dibenzofuran-4-amine.
What is the SMILES notation for N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]dibenzofuran-4-amine?
The canonical SMILES for N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]dibenzofuran-4-amine is CC/C=C(C)\C=C/Nc1cccc2c1oc1ccccc12.
What is the InChIKey of N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]dibenzofuran-4-amine?
The InChIKey is NHWDAOJLPWKKOT-LRRHXLOMSA-N. The full InChI is InChI=1S/C19H19NO/c1-3-7-14(2)12-13-20-17-10-6-9-16-15-8-4-5-11-18(15)21-19(16)17/h4-13,20H,3H2,1-2H3/b13-12-,14-7-.
What are the key properties of N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]dibenzofuran-4-amine?
N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]dibenzofuran-4-amine has a molecular weight of 277.37 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]dibenzofuran-4-amine is sourced from PubChem (CID 145212273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).