N-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane

C16H27N3O — CID 172921772

IUPACN-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane
SMILESCC.CN(C)/N=C/c1cc2ccccc2o1.CN(C)C
InChIInChI=1S/C11H12N2O.C3H9N.C2H6/c1-13(2)12-8-10-7-9-5-3-4-6-11(9)14-10;1-4(2)3;1-2/h3-8H,1-2H3;1-3H3;1-2H3/b12-8+;;
InChIKeySIKWIRUUAXAKHI-BPWZRWDXSA-N
MW277.41 g/mol
LogP3.53
Rot. Bonds2

About N-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane

N-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane (PubChem CID 172921772) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane.

Molecular Properties

Compound NameN-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane
PubChem CID172921772
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane
SMILESCC.CN(C)/N=C/c1cc2ccccc2o1.CN(C)C
InChIInChI=1S/C11H12N2O.C3H9N.C2H6/c1-13(2)12-8-10-7-9-5-3-4-6-11(9)14-10;1-4(2)3;1-2/h3-8H,1-2H3;1-3H3;1-2H3/b12-8+;;
InChIKeySIKWIRUUAXAKHI-BPWZRWDXSA-N
XLogP3.53
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzofuran-2-yl)-N-phenylmethanimine
CID 102313408
N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide
CID 20843932
(NE,R)-N-(1-benzofuran-2-ylmethylidene)-2-methylpropane-2-sulfinamide
CID 155662884
2-ethenyl-1-benzofuran
CID 588974
1-benzofuran-2-carbaldehyde;methanamine
CID 143075109
2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran
CID 79322987
N,N-dimethyl-1-benzofuran-2-amine
CID 21259133
(E)-3-(1-benzofuran-2-yl)-2-methylprop-2-enenitrile
CID 18339198
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine
CID 59951457
N-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide
CID 6735281
(E)-but-2-ene;ethane;2-methyl-1-benzofuran
CID 143997020
ethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene
CID 156745259

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane?
The IUPAC name of N-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane (CID 172921772) is N-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane.
What is the SMILES notation for N-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane?
The canonical SMILES for N-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane is CC.CN(C)/N=C/c1cc2ccccc2o1.CN(C)C.
What is the InChIKey of N-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane?
The InChIKey is SIKWIRUUAXAKHI-BPWZRWDXSA-N. The full InChI is InChI=1S/C11H12N2O.C3H9N.C2H6/c1-13(2)12-8-10-7-9-5-3-4-6-11(9)14-10;1-4(2)3;1-2/h3-8H,1-2H3;1-3H3;1-2H3/b12-8+;;.
What are the key properties of N-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane?
N-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane has a molecular weight of 277.41 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane is sourced from PubChem (CID 172921772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).