N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine

C17H28N2 — CID 79056899

IUPACN-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCNC(c1ccc(C)cc1)C(C)(C)N1CCCC1
InChIInChI=1S/C17H28N2/c1-5-18-16(15-10-8-14(2)9-11-15)17(3,4)19-12-6-7-13-19/h8-11,16,18H,5-7,12-13H2,1-4H3
InChIKeyXKRUXMZBUNRGPL-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.52
Rot. Bonds5

About N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine

N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 79056899) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID79056899
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCNC(c1ccc(C)cc1)C(C)(C)N1CCCC1
InChIInChI=1S/C17H28N2/c1-5-18-16(15-10-8-14(2)9-11-15)17(3,4)19-12-6-7-13-19/h8-11,16,18H,5-7,12-13H2,1-4H3
InChIKeyXKRUXMZBUNRGPL-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine (CID 79056899) is N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine is CCNC(c1ccc(C)cc1)C(C)(C)N1CCCC1.
What is the InChIKey of N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is XKRUXMZBUNRGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-18-16(15-10-8-14(2)9-11-15)17(3,4)19-12-6-7-13-19/h8-11,16,18H,5-7,12-13H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine?
N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 79056899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).