N-[bis(5-ethylfuran-2-yl)methylideneamino]methanamine

C14H18N2O2 — CID 170990920

IUPACN-[bis(5-ethylfuran-2-yl)methylideneamino]methanamine
SMILESCCc1ccc(C(=NNC)c2ccc(CC)o2)o1
InChIInChI=1S/C14H18N2O2/c1-4-10-6-8-12(17-10)14(16-15-3)13-9-7-11(5-2)18-13/h6-9,15H,4-5H2,1-3H3
InChIKeyVVXFYPJVNUYODI-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.97
Rot. Bonds5

About N-[bis(5-ethylfuran-2-yl)methylideneamino]methanamine

N-[bis(5-ethylfuran-2-yl)methylideneamino]methanamine (PubChem CID 170990920) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[bis(5-ethylfuran-2-yl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-[bis(5-ethylfuran-2-yl)methylideneamino]methanamine
PubChem CID170990920
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[bis(5-ethylfuran-2-yl)methylideneamino]methanamine
SMILESCCc1ccc(C(=NNC)c2ccc(CC)o2)o1
InChIInChI=1S/C14H18N2O2/c1-4-10-6-8-12(17-10)14(16-15-3)13-9-7-11(5-2)18-13/h6-9,15H,4-5H2,1-3H3
InChIKeyVVXFYPJVNUYODI-UHFFFAOYSA-N
XLogP2.97
TPSA50.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
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'}

Analyze N-[bis(5-ethylfuran-2-yl)methylideneamino]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
N-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine
CID 154075799
1-(5-ethylfuran-2-yl)butan-1-one
CID 62344781
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethylfuran-2-carboxamide
CID 79084469
3-chloro-3-(5-ethylfuran-2-yl)prop-2-enenitrile
CID 79095316
1-(5-ethylfuran-2-yl)prop-2-yn-1-one
CID 114978456
(2S)-2-cyano-3-(5-ethylfuran-2-yl)-N-methyl-3-oxopropanamide
CID 98450623
(5-chlorofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 106683821
N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide
CID 115636695
5-ethyl-N-[4-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 64793917
N-(2-amino-5-methylphenyl)-5-ethylfuran-2-carboxamide
CID 112557315
N-(2-azidoethyl)-5-ethylfuran-2-carboxamide
CID 79084209

Frequently Asked Questions

What is the IUPAC name of N-[bis(5-ethylfuran-2-yl)methylideneamino]methanamine?
The IUPAC name of N-[bis(5-ethylfuran-2-yl)methylideneamino]methanamine (CID 170990920) is N-[bis(5-ethylfuran-2-yl)methylideneamino]methanamine.
What is the SMILES notation for N-[bis(5-ethylfuran-2-yl)methylideneamino]methanamine?
The canonical SMILES for N-[bis(5-ethylfuran-2-yl)methylideneamino]methanamine is CCc1ccc(C(=NNC)c2ccc(CC)o2)o1.
What is the InChIKey of N-[bis(5-ethylfuran-2-yl)methylideneamino]methanamine?
The InChIKey is VVXFYPJVNUYODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-10-6-8-12(17-10)14(16-15-3)13-9-7-11(5-2)18-13/h6-9,15H,4-5H2,1-3H3.
What are the key properties of N-[bis(5-ethylfuran-2-yl)methylideneamino]methanamine?
N-[bis(5-ethylfuran-2-yl)methylideneamino]methanamine has a molecular weight of 246.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(5-ethylfuran-2-yl)methylideneamino]methanamine is sourced from PubChem (CID 170990920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).