N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C12H24N2O2 — CID 62843438

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNCC1CCC=CO1
InChIInChI=1S/C12H24N2O2/c1-14(8-10-15-2)7-6-13-11-12-5-3-4-9-16-12/h4,9,12-13H,3,5-8,10-11H2,1-2H3
InChIKeyUTDMMJFOUKEHIP-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.85
Rot. Bonds8

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 62843438) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID62843438
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNCC1CCC=CO1
InChIInChI=1S/C12H24N2O2/c1-14(8-10-15-2)7-6-13-11-12-5-3-4-9-16-12/h4,9,12-13H,3,5-8,10-11H2,1-2H3
InChIKeyUTDMMJFOUKEHIP-UHFFFAOYSA-N
XLogP0.85
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine 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 N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 62843438) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is UTDMMJFOUKEHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14(8-10-15-2)7-6-13-11-12-5-3-4-9-16-12/h4,9,12-13H,3,5-8,10-11H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 228.34 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62843438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).