4-(2-ethenylpyrrolidin-1-yl)-N-[2-(3-ethylazetidin-1-yl)ethyl]aniline

C19H29N3 — CID 146655264

IUPAC4-(2-ethenylpyrrolidin-1-yl)-N-[2-(3-ethylazetidin-1-yl)ethyl]aniline
SMILESC=CC1CCCN1c1ccc(NCCN2CC(CC)C2)cc1
InChIInChI=1S/C19H29N3/c1-3-16-14-21(15-16)13-11-20-17-7-9-19(10-8-17)22-12-5-6-18(22)4-2/h4,7-10,16,18,20H,2-3,5-6,11-15H2,1H3
InChIKeyADELPZNKFHCADK-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.60
Rot. Bonds7

About 4-(2-ethenylpyrrolidin-1-yl)-N-[2-(3-ethylazetidin-1-yl)ethyl]aniline

4-(2-ethenylpyrrolidin-1-yl)-N-[2-(3-ethylazetidin-1-yl)ethyl]aniline (PubChem CID 146655264) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 4-(2-ethenylpyrrolidin-1-yl)-N-[2-(3-ethylazetidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-(2-ethenylpyrrolidin-1-yl)-N-[2-(3-ethylazetidin-1-yl)ethyl]aniline
PubChem CID146655264
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name4-(2-ethenylpyrrolidin-1-yl)-N-[2-(3-ethylazetidin-1-yl)ethyl]aniline
SMILESC=CC1CCCN1c1ccc(NCCN2CC(CC)C2)cc1
InChIInChI=1S/C19H29N3/c1-3-16-14-21(15-16)13-11-20-17-7-9-19(10-8-17)22-12-5-6-18(22)4-2/h4,7-10,16,18,20H,2-3,5-6,11-15H2,1H3
InChIKeyADELPZNKFHCADK-UHFFFAOYSA-N
XLogP3.60
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenylpyrrolidin-1-yl)-N-[2-(3-ethylazetidin-1-yl)ethyl]aniline?
The IUPAC name of 4-(2-ethenylpyrrolidin-1-yl)-N-[2-(3-ethylazetidin-1-yl)ethyl]aniline (CID 146655264) is 4-(2-ethenylpyrrolidin-1-yl)-N-[2-(3-ethylazetidin-1-yl)ethyl]aniline.
What is the SMILES notation for 4-(2-ethenylpyrrolidin-1-yl)-N-[2-(3-ethylazetidin-1-yl)ethyl]aniline?
The canonical SMILES for 4-(2-ethenylpyrrolidin-1-yl)-N-[2-(3-ethylazetidin-1-yl)ethyl]aniline is C=CC1CCCN1c1ccc(NCCN2CC(CC)C2)cc1.
What is the InChIKey of 4-(2-ethenylpyrrolidin-1-yl)-N-[2-(3-ethylazetidin-1-yl)ethyl]aniline?
The InChIKey is ADELPZNKFHCADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-3-16-14-21(15-16)13-11-20-17-7-9-19(10-8-17)22-12-5-6-18(22)4-2/h4,7-10,16,18,20H,2-3,5-6,11-15H2,1H3.
What are the key properties of 4-(2-ethenylpyrrolidin-1-yl)-N-[2-(3-ethylazetidin-1-yl)ethyl]aniline?
4-(2-ethenylpyrrolidin-1-yl)-N-[2-(3-ethylazetidin-1-yl)ethyl]aniline has a molecular weight of 299.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethenylpyrrolidin-1-yl)-N-[2-(3-ethylazetidin-1-yl)ethyl]aniline is sourced from PubChem (CID 146655264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).