(Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine

C20H21NO — CID 145067901

IUPAC(Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine
SMILES[H]/N=C/C=C\Cc1c(C)ccc2c1oc1c(C(C)C)cccc12
InChIInChI=1S/C20H21NO/c1-13(2)15-8-6-9-17-18-11-10-14(3)16(7-4-5-12-21)20(18)22-19(15)17/h4-6,8-13,21H,7H2,1-3H3/b5-4-,21-12+
InChIKeyBZFLUWCQCCGYTR-YGQYDFCXSA-N
MW291.39 g/mol
LogP5.77
Rot. Bonds4

About (Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine

(Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine (PubChem CID 145067901) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine
PubChem CID145067901
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine
SMILES[H]/N=C/C=C\Cc1c(C)ccc2c1oc1c(C(C)C)cccc12
InChIInChI=1S/C20H21NO/c1-13(2)15-8-6-9-17-18-11-10-14(3)16(7-4-5-12-21)20(18)22-19(15)17/h4-6,8-13,21H,7H2,1-3H3/b5-4-,21-12+
InChIKeyBZFLUWCQCCGYTR-YGQYDFCXSA-N
XLogP5.77
TPSA36.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine
CID 144815720
(1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine
CID 145014028
2-[(Z)-4-iminobut-2-enyl]-3-methyl-6-phenylphenol
CID 145381190
(1Z,3Z)-5-(3,7-dimethyldibenzofuran-4-yl)penta-1,3-dien-1-amine
CID 144815714
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-methyl-6-propan-2-ylphenyl)methanimine
CID 130224626
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
N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine
CID 138456794
N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81049925
N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 137416612

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine?
The IUPAC name of (Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine (CID 145067901) is (Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine is [H]/N=C/C=C\Cc1c(C)ccc2c1oc1c(C(C)C)cccc12.
What is the InChIKey of (Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine?
The InChIKey is BZFLUWCQCCGYTR-YGQYDFCXSA-N. The full InChI is InChI=1S/C20H21NO/c1-13(2)15-8-6-9-17-18-11-10-14(3)16(7-4-5-12-21)20(18)22-19(15)17/h4-6,8-13,21H,7H2,1-3H3/b5-4-,21-12+.
What are the key properties of (Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine?
(Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine has a molecular weight of 291.39 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine is sourced from PubChem (CID 145067901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).