(3R)-1-benzyl-3-methylpyrrolidine;propane

C15H25N — CID 159003320

IUPAC(3R)-1-benzyl-3-methylpyrrolidine;propane
SMILESCCC.C[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H17N.C3H8/c1-11-7-8-13(9-11)10-12-5-3-2-4-6-12;1-3-2/h2-6,11H,7-10H2,1H3;3H2,1-2H3/t11-;/m1./s1
InChIKeyJRPNUCYAQQSFLA-RFVHGSKJSA-N
MW219.37 g/mol
LogP3.94
Rot. Bonds2

About (3R)-1-benzyl-3-methylpyrrolidine;propane

(3R)-1-benzyl-3-methylpyrrolidine;propane (PubChem CID 159003320) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (3R)-1-benzyl-3-methylpyrrolidine;propane.

Molecular Properties

Compound Name(3R)-1-benzyl-3-methylpyrrolidine;propane
PubChem CID159003320
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(3R)-1-benzyl-3-methylpyrrolidine;propane
SMILESCCC.C[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H17N.C3H8/c1-11-7-8-13(9-11)10-12-5-3-2-4-6-12;1-3-2/h2-6,11H,7-10H2,1H3;3H2,1-2H3/t11-;/m1./s1
InChIKeyJRPNUCYAQQSFLA-RFVHGSKJSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-methylpiperidine
CID 2794856
1-benzyl-3-ethylpyrrolidine
CID 12648208
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 61224005
1-benzyl-3-propylpyrrolidine
CID 12648211
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43085353
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-methylpyrrolidine;propane?
The IUPAC name of (3R)-1-benzyl-3-methylpyrrolidine;propane (CID 159003320) is (3R)-1-benzyl-3-methylpyrrolidine;propane.
What is the SMILES notation for (3R)-1-benzyl-3-methylpyrrolidine;propane?
The canonical SMILES for (3R)-1-benzyl-3-methylpyrrolidine;propane is CCC.C[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-3-methylpyrrolidine;propane?
The InChIKey is JRPNUCYAQQSFLA-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H17N.C3H8/c1-11-7-8-13(9-11)10-12-5-3-2-4-6-12;1-3-2/h2-6,11H,7-10H2,1H3;3H2,1-2H3/t11-;/m1./s1.
What are the key properties of (3R)-1-benzyl-3-methylpyrrolidine;propane?
(3R)-1-benzyl-3-methylpyrrolidine;propane has a molecular weight of 219.37 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-methylpyrrolidine;propane is sourced from PubChem (CID 159003320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).