1-butyl-N-(4-ethylphenyl)pyrrolidin-2-imine

C16H24N2 — CID 3039742

IUPAC1-butyl-N-(4-ethylphenyl)pyrrolidin-2-imine
SMILESCCCCN1CCC/C1=N\c1ccc(CC)cc1
InChIInChI=1S/C16H24N2/c1-3-5-12-18-13-6-7-16(18)17-15-10-8-14(4-2)9-11-15/h8-11H,3-7,12-13H2,1-2H3/b17-16+
InChIKeyCAJDZXCAXGMVRN-WUKNDPDISA-N
MW244.38 g/mol
LogP4.17
Rot. Bonds5

About 1-butyl-N-(4-ethylphenyl)pyrrolidin-2-imine

1-butyl-N-(4-ethylphenyl)pyrrolidin-2-imine (PubChem CID 3039742) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-butyl-N-(4-ethylphenyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-butyl-N-(4-ethylphenyl)pyrrolidin-2-imine
PubChem CID3039742
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-butyl-N-(4-ethylphenyl)pyrrolidin-2-imine
SMILESCCCCN1CCC/C1=N\c1ccc(CC)cc1
InChIInChI=1S/C16H24N2/c1-3-5-12-18-13-6-7-16(18)17-15-10-8-14(4-2)9-11-15/h8-11H,3-7,12-13H2,1-2H3/b17-16+
InChIKeyCAJDZXCAXGMVRN-WUKNDPDISA-N
XLogP4.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(4-ethylphenyl)pyrrolidin-2-imine?
The IUPAC name of 1-butyl-N-(4-ethylphenyl)pyrrolidin-2-imine (CID 3039742) is 1-butyl-N-(4-ethylphenyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-butyl-N-(4-ethylphenyl)pyrrolidin-2-imine?
The canonical SMILES for 1-butyl-N-(4-ethylphenyl)pyrrolidin-2-imine is CCCCN1CCC/C1=N\c1ccc(CC)cc1.
What is the InChIKey of 1-butyl-N-(4-ethylphenyl)pyrrolidin-2-imine?
The InChIKey is CAJDZXCAXGMVRN-WUKNDPDISA-N. The full InChI is InChI=1S/C16H24N2/c1-3-5-12-18-13-6-7-16(18)17-15-10-8-14(4-2)9-11-15/h8-11H,3-7,12-13H2,1-2H3/b17-16+.
What are the key properties of 1-butyl-N-(4-ethylphenyl)pyrrolidin-2-imine?
1-butyl-N-(4-ethylphenyl)pyrrolidin-2-imine has a molecular weight of 244.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(4-ethylphenyl)pyrrolidin-2-imine is sourced from PubChem (CID 3039742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).