(1Z,3Z)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine

C19H19NO — CID 144815714

IUPAC(1Z,3Z)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine
SMILESCc1ccc2c(c1)oc1c(C/C=C\C=C/N)c(C)ccc12
InChIInChI=1S/C19H19NO/c1-13-7-9-16-17-10-8-14(2)15(6-4-3-5-11-20)19(17)21-18(16)12-13/h3-5,7-12H,6,20H2,1-2H3/b4-3-,11-5-
InChIKeyNXRRUALQRISXSR-RUTRJIIFSA-N
MW277.37 g/mol
LogP4.77
Rot. Bonds3

About (1Z,3Z)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine

(1Z,3Z)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine (PubChem CID 144815714) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (1Z,3Z)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine
PubChem CID144815714
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(1Z,3Z)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine
SMILESCc1ccc2c(c1)oc1c(C/C=C\C=C/N)c(C)ccc12
InChIInChI=1S/C19H19NO/c1-13-7-9-16-17-10-8-14(2)15(6-4-3-5-11-20)19(17)21-18(16)12-13/h3-5,7-12H,6,20H2,1-2H3/b4-3-,11-5-
InChIKeyNXRRUALQRISXSR-RUTRJIIFSA-N
XLogP4.77
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.77
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

(1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine
CID 145014028
3,6-dimethyldibenzofuran;ethane
CID 142097287
9-methylphenanthro[1,2-b][1]benzofuran
CID 158951107
19-methyl-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 123734566
2-(3,7-dimethyldibenzofuran-4-yl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium
CID 164797930
(Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine
CID 145067901
2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran
CID 139460855
11-ethyl-6,17-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
CID 144608353
3-methyl-6-nitrodibenzofuran
CID 129136915
2,7-dimethylchromen-4-one
CID 2343140
(1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine
CID 144815720
2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran
CID 159327549

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine (CID 144815714) is (1Z,3Z)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine is Cc1ccc2c(c1)oc1c(C/C=C\C=C/N)c(C)ccc12.
What is the InChIKey of (1Z,3Z)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine?
The InChIKey is NXRRUALQRISXSR-RUTRJIIFSA-N. The full InChI is InChI=1S/C19H19NO/c1-13-7-9-16-17-10-8-14(2)15(6-4-3-5-11-20)19(17)21-18(16)12-13/h3-5,7-12H,6,20H2,1-2H3/b4-3-,11-5-.
What are the key properties of (1Z,3Z)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine?
(1Z,3Z)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine has a molecular weight of 277.37 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine is sourced from PubChem (CID 144815714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).