[3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine

C15H24N2 — CID 120846989

IUPAC[3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine
SMILESCC(CN1CCC(C)(CN)C1)c1ccccc1
InChIInChI=1S/C15H24N2/c1-13(14-6-4-3-5-7-14)10-17-9-8-15(2,11-16)12-17/h3-7,13H,8-12,16H2,1-2H3
InChIKeyOBNHSEOTJIGQMB-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.46
Rot. Bonds4

About [3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine

[3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine (PubChem CID 120846989) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine
PubChem CID120846989
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name[3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine
SMILESCC(CN1CCC(C)(CN)C1)c1ccccc1
InChIInChI=1S/C15H24N2/c1-13(14-6-4-3-5-7-14)10-17-9-8-15(2,11-16)12-17/h3-7,13H,8-12,16H2,1-2H3
InChIKeyOBNHSEOTJIGQMB-UHFFFAOYSA-N
XLogP2.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine (CID 120846989) is [3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine is CC(CN1CCC(C)(CN)C1)c1ccccc1.
What is the InChIKey of [3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine?
The InChIKey is OBNHSEOTJIGQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13(14-6-4-3-5-7-14)10-17-9-8-15(2,11-16)12-17/h3-7,13H,8-12,16H2,1-2H3.
What are the key properties of [3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine?
[3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120846989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).