N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine

C15H25N3 — CID 107365088

IUPACN'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
SMILESCN1CCC(N(CCCN)Cc2ccccc2)C1
InChIInChI=1S/C15H25N3/c1-17-11-8-15(13-17)18(10-5-9-16)12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13,16H2,1H3
InChIKeyYFOBKUSNVIHOKQ-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.54
Rot. Bonds6

About N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine

N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine (PubChem CID 107365088) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
PubChem CID107365088
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
SMILESCN1CCC(N(CCCN)Cc2ccccc2)C1
InChIInChI=1S/C15H25N3/c1-17-11-8-15(13-17)18(10-5-9-16)12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13,16H2,1H3
InChIKeyYFOBKUSNVIHOKQ-UHFFFAOYSA-N
XLogP1.54
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine (CID 107365088) is N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine is CN1CCC(N(CCCN)Cc2ccccc2)C1.
What is the InChIKey of N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine?
The InChIKey is YFOBKUSNVIHOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17-11-8-15(13-17)18(10-5-9-16)12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13,16H2,1H3.
What are the key properties of N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine?
N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine has a molecular weight of 247.39 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 107365088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).