N-methyl-4-phenylpyrrolidin-1-ium-3-amine

C11H17N2+ — CID 143055906

IUPACN-methyl-4-phenylpyrrolidin-1-ium-3-amine
SMILESCNC1C[NH2+]CC1c1ccccc1
InChIInChI=1S/C11H16N2/c1-12-11-8-13-7-10(11)9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/p+1
InChIKeyMCLZRGDVEHDPLD-UHFFFAOYSA-O
MW177.27 g/mol
LogP-0.06
Rot. Bonds2

About N-methyl-4-phenylpyrrolidin-1-ium-3-amine

N-methyl-4-phenylpyrrolidin-1-ium-3-amine (PubChem CID 143055906) has the molecular formula C11H17N2+ and a molecular weight of 177.27 g/mol. Its IUPAC name is N-methyl-4-phenylpyrrolidin-1-ium-3-amine.

Molecular Properties

Compound NameN-methyl-4-phenylpyrrolidin-1-ium-3-amine
PubChem CID143055906
Molecular FormulaC11H17N2+
Molecular Weight177.27 g/mol
Exact Mass177.14
IUPAC NameN-methyl-4-phenylpyrrolidin-1-ium-3-amine
SMILESCNC1C[NH2+]CC1c1ccccc1
InChIInChI=1S/C11H16N2/c1-12-11-8-13-7-10(11)9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/p+1
InChIKeyMCLZRGDVEHDPLD-UHFFFAOYSA-O
XLogP-0.06
TPSA28.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenylpyrrolidin-1-ium-3-amine?
The IUPAC name of N-methyl-4-phenylpyrrolidin-1-ium-3-amine (CID 143055906) is N-methyl-4-phenylpyrrolidin-1-ium-3-amine.
What is the SMILES notation for N-methyl-4-phenylpyrrolidin-1-ium-3-amine?
The canonical SMILES for N-methyl-4-phenylpyrrolidin-1-ium-3-amine is CNC1C[NH2+]CC1c1ccccc1.
What is the InChIKey of N-methyl-4-phenylpyrrolidin-1-ium-3-amine?
The InChIKey is MCLZRGDVEHDPLD-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H16N2/c1-12-11-8-13-7-10(11)9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/p+1.
What are the key properties of N-methyl-4-phenylpyrrolidin-1-ium-3-amine?
N-methyl-4-phenylpyrrolidin-1-ium-3-amine has a molecular weight of 177.27 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenylpyrrolidin-1-ium-3-amine is sourced from PubChem (CID 143055906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).