N-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine

C22H32N2O2 — CID 23045269

IUPACN-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine
SMILESc1ccc(CNCCCCCCOCCOCCc2ccccn2)cc1
InChIInChI=1S/C22H32N2O2/c1(7-14-23-20-21-10-4-3-5-11-21)2-9-16-25-18-19-26-17-13-22-12-6-8-15-24-22/h3-6,8,10-12,15,23H,1-2,7,9,13-14,16-20H2
InChIKeyIHAOZSCPCBIUJM-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.01
Rot. Bonds15

About N-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine

N-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine (PubChem CID 23045269) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine.

Molecular Properties

Compound NameN-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine
PubChem CID23045269
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine
SMILESc1ccc(CNCCCCCCOCCOCCc2ccccn2)cc1
InChIInChI=1S/C22H32N2O2/c1(7-14-23-20-21-10-4-3-5-11-21)2-9-16-25-18-19-26-17-13-22-12-6-8-15-24-22/h3-6,8,10-12,15,23H,1-2,7,9,13-14,16-20H2
InChIKeyIHAOZSCPCBIUJM-UHFFFAOYSA-N
XLogP4.01
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine 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

N-[5-(2-pyridin-2-ylethoxy)pentyl]cyclopropanamine
CID 62455569
N-propan-2-yl-5-(2-pyridin-2-ylethoxy)pentan-1-amine
CID 62455568
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665
4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol
CID 174549086
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol
CID 106310050
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
7-(2-pyridin-2-ylethoxy)heptan-2-one
CID 23045048
6-(2-pyridin-2-ylethoxy)hexanoyl chloride
CID 15166942
2-[3-(6-bromohexoxy)propyl]pyridine
CID 22161742
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine?
The IUPAC name of N-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine (CID 23045269) is N-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine.
What is the SMILES notation for N-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine?
The canonical SMILES for N-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine is c1ccc(CNCCCCCCOCCOCCc2ccccn2)cc1.
What is the InChIKey of N-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine?
The InChIKey is IHAOZSCPCBIUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1(7-14-23-20-21-10-4-3-5-11-21)2-9-16-25-18-19-26-17-13-22-12-6-8-15-24-22/h3-6,8,10-12,15,23H,1-2,7,9,13-14,16-20H2.
What are the key properties of N-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine?
N-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine has a molecular weight of 356.51 g/mol, XLogP of 4.01, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine is sourced from PubChem (CID 23045269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).