ethoxyethane;methane;4-methoxy-2,3-dihydro-1H-inden-1-amine;(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine

C25H38N2O4 — CID 172940779

IUPACethoxyethane;methane;4-methoxy-2,3-dihydro-1H-inden-1-amine;(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESC.CCOCC.COc1cccc2c1CC/C2=N\O.COc1cccc2c1CCC2N
InChIInChI=1S/C10H11NO2.C10H13NO.C4H10O.CH4/c1-13-10-4-2-3-7-8(10)5-6-9(7)11-12;1-12-10-4-2-3-7-8(10)5-6-9(7)11;1-3-5-4-2;/h2-4,12H,5-6H2,1H3;2-4,9H,5-6,11H2,1H3;3-4H2,1-2H3;1H4/b11-9+;;;
InChIKeyKFVPNGJUONCEKS-OOQPXJNPSA-N
MW430.59 g/mol
LogP5.14
Rot. Bonds4

About ethoxyethane;methane;4-methoxy-2,3-dihydro-1H-inden-1-amine;(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine

ethoxyethane;methane;4-methoxy-2,3-dihydro-1H-inden-1-amine;(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine (PubChem CID 172940779) has the molecular formula C25H38N2O4 and a molecular weight of 430.59 g/mol. Its IUPAC name is ethoxyethane;methane;4-methoxy-2,3-dihydro-1H-inden-1-amine;(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine.

Molecular Properties

Compound Nameethoxyethane;methane;4-methoxy-2,3-dihydro-1H-inden-1-amine;(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine
PubChem CID172940779
Molecular FormulaC25H38N2O4
Molecular Weight430.59 g/mol
Exact Mass430.28
IUPAC Nameethoxyethane;methane;4-methoxy-2,3-dihydro-1H-inden-1-amine;(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESC.CCOCC.COc1cccc2c1CC/C2=N\O.COc1cccc2c1CCC2N
InChIInChI=1S/C10H11NO2.C10H13NO.C4H10O.CH4/c1-13-10-4-2-3-7-8(10)5-6-9(7)11-12;1-12-10-4-2-3-7-8(10)5-6-9(7)11;1-3-5-4-2;/h2-4,12H,5-6H2,1H3;2-4,9H,5-6,11H2,1H3;3-4H2,1-2H3;1H4/b11-9+;;;
InChIKeyKFVPNGJUONCEKS-OOQPXJNPSA-N
XLogP5.14
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethoxyethane;methane;4-methoxy-2,3-dihydro-1H-inden-1-amine;(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;methane;4-methoxy-2,3-dihydro-1H-inden-1-amine;(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine?
The IUPAC name of ethoxyethane;methane;4-methoxy-2,3-dihydro-1H-inden-1-amine;(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine (CID 172940779) is ethoxyethane;methane;4-methoxy-2,3-dihydro-1H-inden-1-amine;(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine.
What is the SMILES notation for ethoxyethane;methane;4-methoxy-2,3-dihydro-1H-inden-1-amine;(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine?
The canonical SMILES for ethoxyethane;methane;4-methoxy-2,3-dihydro-1H-inden-1-amine;(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine is C.CCOCC.COc1cccc2c1CC/C2=N\O.COc1cccc2c1CCC2N.
What is the InChIKey of ethoxyethane;methane;4-methoxy-2,3-dihydro-1H-inden-1-amine;(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine?
The InChIKey is KFVPNGJUONCEKS-OOQPXJNPSA-N. The full InChI is InChI=1S/C10H11NO2.C10H13NO.C4H10O.CH4/c1-13-10-4-2-3-7-8(10)5-6-9(7)11-12;1-12-10-4-2-3-7-8(10)5-6-9(7)11;1-3-5-4-2;/h2-4,12H,5-6H2,1H3;2-4,9H,5-6,11H2,1H3;3-4H2,1-2H3;1H4/b11-9+;;;.
What are the key properties of ethoxyethane;methane;4-methoxy-2,3-dihydro-1H-inden-1-amine;(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine?
ethoxyethane;methane;4-methoxy-2,3-dihydro-1H-inden-1-amine;(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine has a molecular weight of 430.59 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;methane;4-methoxy-2,3-dihydro-1H-inden-1-amine;(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine is sourced from PubChem (CID 172940779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).