(1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine

C24H29NO — CID 144815720

IUPAC(1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine
SMILESCc1ccc2c(oc3c(C(C)C)cccc32)c1C/C=C(\C=C/N)C(C)C
InChIInChI=1S/C24H29NO/c1-15(2)18(13-14-25)10-12-20-17(5)9-11-22-21-8-6-7-19(16(3)4)23(21)26-24(20)22/h6-11,13-16H,12,25H2,1-5H3/b14-13-,18-10+
InChIKeyQDYDPMQCGLCVDO-LXMWDYQOSA-N
MW347.50 g/mol
LogP6.62
Rot. Bonds5

About (1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine

(1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine (PubChem CID 144815720) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is (1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine
PubChem CID144815720
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name(1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine
SMILESCc1ccc2c(oc3c(C(C)C)cccc32)c1C/C=C(\C=C/N)C(C)C
InChIInChI=1S/C24H29NO/c1-15(2)18(13-14-25)10-12-20-17(5)9-11-22-21-8-6-7-19(16(3)4)23(21)26-24(20)22/h6-11,13-16H,12,25H2,1-5H3/b14-13-,18-10+
InChIKeyQDYDPMQCGLCVDO-LXMWDYQOSA-N
XLogP6.62
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine
CID 145067901
4-methyl-8-propan-2-ylchromen-2-one
CID 71446036
4-methyl-2-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-1,2-dihydropyridine
CID 144815816
2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran
CID 82379660
2-ethyl-7-propan-2-yl-1-benzofuran-3-ol
CID 91138149
N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine
CID 138651496
N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843012
1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459839
4-hydroxy-3-methyl-8-propan-2-ylchromen-2-one
CID 143309874
(1Z,3Z)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine
CID 144815714
2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone
CID 84694595
N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine
CID 138456794

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine (CID 144815720) is (1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine is Cc1ccc2c(oc3c(C(C)C)cccc32)c1C/C=C(\C=C/N)C(C)C.
What is the InChIKey of (1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine?
The InChIKey is QDYDPMQCGLCVDO-LXMWDYQOSA-N. The full InChI is InChI=1S/C24H29NO/c1-15(2)18(13-14-25)10-12-20-17(5)9-11-22-21-8-6-7-19(16(3)4)23(21)26-24(20)22/h6-11,13-16H,12,25H2,1-5H3/b14-13-,18-10+.
What are the key properties of (1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine?
(1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine has a molecular weight of 347.50 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine is sourced from PubChem (CID 144815720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).