N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine

C15H24N2 — CID 102569971

IUPACN-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
SMILESCN1CCCC1CCCNCc1ccccc1
InChIInChI=1S/C15H24N2/c1-17-12-6-10-15(17)9-5-11-16-13-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3
InChIKeyXAPPWPXIGZUGFP-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.65
Rot. Bonds6

About N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine

N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine (PubChem CID 102569971) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
PubChem CID102569971
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
SMILESCN1CCCC1CCCNCc1ccccc1
InChIInChI=1S/C15H24N2/c1-17-12-6-10-15(17)9-5-11-16-13-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3
InChIKeyXAPPWPXIGZUGFP-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 102569978
1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084
[4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol
CID 107230971
2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 60684733
ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 145468327
N-[(4-chlorophenyl)methylsulfamoyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine
CID 20774720
3-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]benzonitrile
CID 55066732
3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea
CID 107653183
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
N-benzyl-4-cyclopropylbutan-1-amine
CID 165438994
N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
CID 62654308
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine?
The IUPAC name of N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine (CID 102569971) is N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine.
What is the SMILES notation for N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine?
The canonical SMILES for N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine is CN1CCCC1CCCNCc1ccccc1.
What is the InChIKey of N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine?
The InChIKey is XAPPWPXIGZUGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-17-12-6-10-15(17)9-5-11-16-13-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3.
What are the key properties of N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine?
N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine is sourced from PubChem (CID 102569971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).