(1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine

C19H19NO — CID 145014028

IUPAC(1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine
SMILESCN/C=C\C=C/Cc1c(C)ccc2c1oc1ccccc12
InChIInChI=1S/C19H19NO/c1-14-11-12-17-16-9-5-6-10-18(16)21-19(17)15(14)8-4-3-7-13-20-2/h3-7,9-13,20H,8H2,1-2H3/b4-3-,13-7-
InChIKeyBZDJHLDEOFPCBH-YGHGKEMSSA-N
MW277.37 g/mol
LogP4.73
Rot. Bonds4

About (1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine

(1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine (PubChem CID 145014028) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine
PubChem CID145014028
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine
SMILESCN/C=C\C=C/Cc1c(C)ccc2c1oc1ccccc12
InChIInChI=1S/C19H19NO/c1-14-11-12-17-16-9-5-6-10-18(16)21-19(17)15(14)8-4-3-7-13-20-2/h3-7,9-13,20H,8H2,1-2H3/b4-3-,13-7-
InChIKeyBZDJHLDEOFPCBH-YGHGKEMSSA-N
XLogP4.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.73
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)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine
CID 144815714
1-fluoro-2-[(3E,5Z)-octa-3,5-dien-3-yl]benzene;(Z)-4-(3-methyldibenzofuran-4-yl)but-2-en-1-imine
CID 144857274
(Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine
CID 145067901
2-(3-methyldibenzofuran-4-yl)pyridine
CID 118074682
3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one
CID 163923162
dibenzofuran-4-yl(trimethyl)silane
CID 10752569
4-but-1-enyldibenzofuran
CID 154131929
3,6-dimethyldibenzofuran;ethane
CID 142097287
ethane;(5Z)-N-[[4-[(Z)-4-iminobut-2-enyl]dibenzofuran-3-yl]methyl]-3-methylhepta-1,5-dien-2-amine;pent-1-ene
CID 145094319
1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 134285418
4-methyldibenzofuran;(Z)-pent-3-en-2-imine
CID 145299521
(3S)-1,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 137454596

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine (CID 145014028) is (1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine is CN/C=C\C=C/Cc1c(C)ccc2c1oc1ccccc12.
What is the InChIKey of (1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine?
The InChIKey is BZDJHLDEOFPCBH-YGHGKEMSSA-N. The full InChI is InChI=1S/C19H19NO/c1-14-11-12-17-16-9-5-6-10-18(16)21-19(17)15(14)8-4-3-7-13-20-2/h3-7,9-13,20H,8H2,1-2H3/b4-3-,13-7-.
What are the key properties of (1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine?
(1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine has a molecular weight of 277.37 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine is sourced from PubChem (CID 145014028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).