3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine

C15H25N3 — CID 81467474

IUPAC3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine
SMILESCCN(c1ccccc1)C1(CN)CC(C)N(C)C1
InChIInChI=1S/C15H25N3/c1-4-18(14-8-6-5-7-9-14)15(11-16)10-13(2)17(3)12-15/h5-9,13H,4,10-12,16H2,1-3H3
InChIKeyXFXMBPXGDYMVSC-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.93
Rot. Bonds4

About 3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine

3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine (PubChem CID 81467474) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine
PubChem CID81467474
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine
SMILESCCN(c1ccccc1)C1(CN)CC(C)N(C)C1
InChIInChI=1S/C15H25N3/c1-4-18(14-8-6-5-7-9-14)15(11-16)10-13(2)17(3)12-15/h5-9,13H,4,10-12,16H2,1-3H3
InChIKeyXFXMBPXGDYMVSC-UHFFFAOYSA-N
XLogP1.93
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine (CID 81467474) is 3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine is CCN(c1ccccc1)C1(CN)CC(C)N(C)C1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine?
The InChIKey is XFXMBPXGDYMVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-18(14-8-6-5-7-9-14)15(11-16)10-13(2)17(3)12-15/h5-9,13H,4,10-12,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine?
3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine has a molecular weight of 247.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine is sourced from PubChem (CID 81467474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).