N'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine

C17H25N3 — CID 66398289

IUPACN'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine
SMILESCN(CCCNCc1ccn(C)c1)Cc1ccccc1
InChIInChI=1S/C17H25N3/c1-19(14-16-7-4-3-5-8-16)11-6-10-18-13-17-9-12-20(2)15-17/h3-5,7-9,12,15,18H,6,10-11,13-14H2,1-2H3
InChIKeyVMVFQVLSRXHHBE-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.64
Rot. Bonds8

About N'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine

N'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine (PubChem CID 66398289) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine
PubChem CID66398289
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine
SMILESCN(CCCNCc1ccn(C)c1)Cc1ccccc1
InChIInChI=1S/C17H25N3/c1-19(14-16-7-4-3-5-8-16)11-6-10-18-13-17-9-12-20(2)15-17/h3-5,7-9,12,15,18H,6,10-11,13-14H2,1-2H3
InChIKeyVMVFQVLSRXHHBE-UHFFFAOYSA-N
XLogP2.64
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]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'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile
CID 43824534
N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28577606
N'-benzyl-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N'-methylpropane-1,3-diamine
CID 104878492
2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide
CID 77025961
2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide
CID 28577544
N'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine
CID 62761727
4,4,4-trifluoro-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine
CID 115516568
5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
CID 115325132
2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 130478299
N'-benzyl-N-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626
N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
CID 62654308

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine (CID 66398289) is N'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine is CN(CCCNCc1ccn(C)c1)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine?
The InChIKey is VMVFQVLSRXHHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-19(14-16-7-4-3-5-8-16)11-6-10-18-13-17-9-12-20(2)15-17/h3-5,7-9,12,15,18H,6,10-11,13-14H2,1-2H3.
What are the key properties of N'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine?
N'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine has a molecular weight of 271.41 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 66398289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).