N-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

C16H27N3 — CID 63209215

IUPACN-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCN(CCNCc1ccccc1)CCN1CCCC1
InChIInChI=1S/C16H27N3/c1-18(13-14-19-10-5-6-11-19)12-9-17-15-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-15H2,1H3
InChIKeyGCSVECGTVKWEKB-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.80
Rot. Bonds8

About N-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

N-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (PubChem CID 63209215) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
PubChem CID63209215
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCN(CCNCc1ccccc1)CCN1CCCC1
InChIInChI=1S/C16H27N3/c1-18(13-14-19-10-5-6-11-19)12-9-17-15-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-15H2,1H3
InChIKeyGCSVECGTVKWEKB-UHFFFAOYSA-N
XLogP1.80
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
N'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63726698
N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine
CID 82353074
N-methyl-4-(propylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)aniline
CID 63207739
N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62558621
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
CID 63211277
3-(4-methylpiperazin-1-yl)-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899289
N,N'-dimethyl-N'-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 10105808
N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 10266776
N-benzyl-2-(1,4-diazepan-1-yl)ethanamine
CID 62833127
N-(4-chlorophenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 55163626

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of N-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (CID 63209215) is N-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is CN(CCNCc1ccccc1)CCN1CCCC1.
What is the InChIKey of N-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The InChIKey is GCSVECGTVKWEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-18(13-14-19-10-5-6-11-19)12-9-17-15-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-15H2,1H3.
What are the key properties of N-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
N-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine has a molecular weight of 261.41 g/mol, XLogP of 1.80, 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'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 63209215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).