N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine

C15H24N2 — CID 94408590

IUPACN-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)N(Cc1ccccc1)C[C@@H]1CCNC1
InChIInChI=1S/C15H24N2/c1-13(2)17(12-15-8-9-16-10-15)11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3/t15-/m1/s1
InChIKeyFWAOJFGDTNTJHN-OAHLLOKOSA-N
MW232.37 g/mol
LogP2.51
Rot. Bonds5

About N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine

N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 94408590) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID94408590
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)N(Cc1ccccc1)C[C@@H]1CCNC1
InChIInChI=1S/C15H24N2/c1-13(2)17(12-15-8-9-16-10-15)11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3/t15-/m1/s1
InChIKeyFWAOJFGDTNTJHN-OAHLLOKOSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
N-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine
CID 54911022
N-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 11680997
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
CID 96555702
benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate
CID 96555674
(3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine
CID 66569418
N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698883
N-methyl-1-phenyl-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23292007
3-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]benzonitrile
CID 79715783
3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide
CID 106637286
N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine
CID 106624545

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine (CID 94408590) is N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine is CC(C)N(Cc1ccccc1)C[C@@H]1CCNC1.
What is the InChIKey of N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is FWAOJFGDTNTJHN-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N2/c1-13(2)17(12-15-8-9-16-10-15)11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3/t15-/m1/s1.
What are the key properties of N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine?
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 94408590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).