2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine

C17H28N2 — CID 55069158

IUPAC2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine
SMILESCC(C)(C)NCCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-17(2,3)18-11-7-12-19-13-10-16(14-19)15-8-5-4-6-9-15/h4-6,8-9,16,18H,7,10-14H2,1-3H3
InChIKeyICOLQVMECDGLIM-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.25
Rot. Bonds5

About 2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine

2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine (PubChem CID 55069158) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine
PubChem CID55069158
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine
SMILESCC(C)(C)NCCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-17(2,3)18-11-7-12-19-13-10-16(14-19)15-8-5-4-6-9-15/h4-6,8-9,16,18H,7,10-14H2,1-3H3
InChIKeyICOLQVMECDGLIM-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine
CID 55069157
3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62559929
N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine
CID 21051144
2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine
CID 65254158
2-methyl-4-(3-phenylpyrrolidin-1-yl)-2-(propylamino)butanenitrile
CID 62131420
9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol
CID 105343948
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 65247484
6-(3-phenylpyrrolidin-1-yl)hexan-2-ol
CID 62133412
6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine
CID 62131389
2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile
CID 62132130
2-amino-2-methyl-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131244
2-methyl-2-(methylamino)-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131245

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine (CID 55069158) is 2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine is CC(C)(C)NCCCN1CCC(c2ccccc2)C1.
What is the InChIKey of 2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine?
The InChIKey is ICOLQVMECDGLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,3)18-11-7-12-19-13-10-16(14-19)15-8-5-4-6-9-15/h4-6,8-9,16,18H,7,10-14H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine?
2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine is sourced from PubChem (CID 55069158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).