4-(2-ethylpyrrolidin-1-yl)aniline

C12H18N2 — CID 60973731

IUPAC4-(2-ethylpyrrolidin-1-yl)aniline
SMILESCCC1CCCN1c1ccc(N)cc1
InChIInChI=1S/C12H18N2/c1-2-11-4-3-9-14(11)12-7-5-10(13)6-8-12/h5-8,11H,2-4,9,13H2,1H3
InChIKeyHUNVOJZURTUYTF-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.65
Rot. Bonds2

About 4-(2-ethylpyrrolidin-1-yl)aniline

4-(2-ethylpyrrolidin-1-yl)aniline (PubChem CID 60973731) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-(2-ethylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name4-(2-ethylpyrrolidin-1-yl)aniline
PubChem CID60973731
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-(2-ethylpyrrolidin-1-yl)aniline
SMILESCCC1CCCN1c1ccc(N)cc1
InChIInChI=1S/C12H18N2/c1-2-11-4-3-9-14(11)12-7-5-10(13)6-8-12/h5-8,11H,2-4,9,13H2,1H3
InChIKeyHUNVOJZURTUYTF-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrrolidin-1-yl)aniline?
The IUPAC name of 4-(2-ethylpyrrolidin-1-yl)aniline (CID 60973731) is 4-(2-ethylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 4-(2-ethylpyrrolidin-1-yl)aniline?
The canonical SMILES for 4-(2-ethylpyrrolidin-1-yl)aniline is CCC1CCCN1c1ccc(N)cc1.
What is the InChIKey of 4-(2-ethylpyrrolidin-1-yl)aniline?
The InChIKey is HUNVOJZURTUYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-11-4-3-9-14(11)12-7-5-10(13)6-8-12/h5-8,11H,2-4,9,13H2,1H3.
What are the key properties of 4-(2-ethylpyrrolidin-1-yl)aniline?
4-(2-ethylpyrrolidin-1-yl)aniline has a molecular weight of 190.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 60973731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).