N-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine

C17H28N2O — CID 107126647

IUPACN-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine
SMILESCOCCNCCCNCC1CCc2ccccc2C1
InChIInChI=1S/C17H28N2O/c1-20-12-11-18-9-4-10-19-14-15-7-8-16-5-2-3-6-17(16)13-15/h2-3,5-6,15,18-19H,4,7-14H2,1H3
InChIKeyNHZHFDKGPDFBLU-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.01
Rot. Bonds9

About N-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine

N-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine (PubChem CID 107126647) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine
PubChem CID107126647
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine
SMILESCOCCNCCCNCC1CCc2ccccc2C1
InChIInChI=1S/C17H28N2O/c1-20-12-11-18-9-4-10-19-14-15-7-8-16-5-2-3-6-17(16)13-15/h2-3,5-6,15,18-19H,4,7-14H2,1H3
InChIKeyNHZHFDKGPDFBLU-UHFFFAOYSA-N
XLogP2.01
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-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-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine (CID 107126647) is N-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine is COCCNCCCNCC1CCc2ccccc2C1.
What is the InChIKey of N-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is NHZHFDKGPDFBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-20-12-11-18-9-4-10-19-14-15-7-8-16-5-2-3-6-17(16)13-15/h2-3,5-6,15,18-19H,4,7-14H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine?
N-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 107126647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).