N'-(2-ethylbutyl)-1,2,4a,9b-tetrahydrodibenzofuran-2-carboximidamide

C19H26N2O — CID 130349520

IUPACN'-(2-ethylbutyl)-1,2,4a,9b-tetrahydrodibenzofuran-2-carboximidamide
SMILESCCC(CC)C/N=C(\N)C1C=CC2Oc3ccccc3C2C1
InChIInChI=1S/C19H26N2O/c1-3-13(4-2)12-21-19(20)14-9-10-18-16(11-14)15-7-5-6-8-17(15)22-18/h5-10,13-14,16,18H,3-4,11-12H2,1-2H3,(H2,20,21)
InChIKeyMYDJFVIUGIOIKP-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.90
Rot. Bonds5

About N'-(2-ethylbutyl)-1,2,4a,9b-tetrahydrodibenzofuran-2-carboximidamide

N'-(2-ethylbutyl)-1,2,4a,9b-tetrahydrodibenzofuran-2-carboximidamide (PubChem CID 130349520) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N'-(2-ethylbutyl)-1,2,4a,9b-tetrahydrodibenzofuran-2-carboximidamide.

Molecular Properties

Compound NameN'-(2-ethylbutyl)-1,2,4a,9b-tetrahydrodibenzofuran-2-carboximidamide
PubChem CID130349520
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN'-(2-ethylbutyl)-1,2,4a,9b-tetrahydrodibenzofuran-2-carboximidamide
SMILESCCC(CC)C/N=C(\N)C1C=CC2Oc3ccccc3C2C1
InChIInChI=1S/C19H26N2O/c1-3-13(4-2)12-21-19(20)14-9-10-18-16(11-14)15-7-5-6-8-17(15)22-18/h5-10,13-14,16,18H,3-4,11-12H2,1-2H3,(H2,20,21)
InChIKeyMYDJFVIUGIOIKP-UHFFFAOYSA-N
XLogP3.90
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylbutyl)-1,2,4a,9b-tetrahydrodibenzofuran-2-carboximidamide?
The IUPAC name of N'-(2-ethylbutyl)-1,2,4a,9b-tetrahydrodibenzofuran-2-carboximidamide (CID 130349520) is N'-(2-ethylbutyl)-1,2,4a,9b-tetrahydrodibenzofuran-2-carboximidamide.
What is the SMILES notation for N'-(2-ethylbutyl)-1,2,4a,9b-tetrahydrodibenzofuran-2-carboximidamide?
The canonical SMILES for N'-(2-ethylbutyl)-1,2,4a,9b-tetrahydrodibenzofuran-2-carboximidamide is CCC(CC)C/N=C(\N)C1C=CC2Oc3ccccc3C2C1.
What is the InChIKey of N'-(2-ethylbutyl)-1,2,4a,9b-tetrahydrodibenzofuran-2-carboximidamide?
The InChIKey is MYDJFVIUGIOIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-3-13(4-2)12-21-19(20)14-9-10-18-16(11-14)15-7-5-6-8-17(15)22-18/h5-10,13-14,16,18H,3-4,11-12H2,1-2H3,(H2,20,21).
What are the key properties of N'-(2-ethylbutyl)-1,2,4a,9b-tetrahydrodibenzofuran-2-carboximidamide?
N'-(2-ethylbutyl)-1,2,4a,9b-tetrahydrodibenzofuran-2-carboximidamide has a molecular weight of 298.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylbutyl)-1,2,4a,9b-tetrahydrodibenzofuran-2-carboximidamide is sourced from PubChem (CID 130349520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).