N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine

C17H29N3O — CID 28577606

IUPACN'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
SMILESCN(CCCNCCN1CCOCC1)Cc1ccccc1
InChIInChI=1S/C17H29N3O/c1-19(16-17-6-3-2-4-7-17)10-5-8-18-9-11-20-12-14-21-15-13-20/h2-4,6-7,18H,5,8-16H2,1H3
InChIKeyYOOCXIQTFHBDGI-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.43
Rot. Bonds9

About N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine

N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine (PubChem CID 28577606) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
PubChem CID28577606
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
SMILESCN(CCCNCCN1CCOCC1)Cc1ccccc1
InChIInChI=1S/C17H29N3O/c1-19(16-17-6-3-2-4-7-17)10-5-8-18-9-11-20-12-14-21-15-13-20/h2-4,6-7,18H,5,8-16H2,1H3
InChIKeyYOOCXIQTFHBDGI-UHFFFAOYSA-N
XLogP1.43
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)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

Related Compounds

N',N'-dimethyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28583738
N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide
CID 109016746
1-[2-[benzyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111078725
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045869
N'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine
CID 66398289
1-benzyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea
CID 8656769
2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone
CID 28577546
N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
CID 62654308
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide
CID 108517517
N'-benzyl-N-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine (CID 28577606) is N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine is CN(CCCNCCN1CCOCC1)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine?
The InChIKey is YOOCXIQTFHBDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-19(16-17-6-3-2-4-7-17)10-5-8-18-9-11-20-12-14-21-15-13-20/h2-4,6-7,18H,5,8-16H2,1H3.
What are the key properties of N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine?
N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine has a molecular weight of 291.44 g/mol, XLogP of 1.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 28577606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).