4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline

C16H27N3 — CID 63784792

IUPAC4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESCc1cc(N(C)CCN2CCCC2)ccc1CCN
InChIInChI=1S/C16H27N3/c1-14-13-16(6-5-15(14)7-8-17)18(2)11-12-19-9-3-4-10-19/h5-6,13H,3-4,7-12,17H2,1-2H3
InChIKeyQFXVGQNTGVGELS-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.03
Rot. Bonds6

About 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline

4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 63784792) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID63784792
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESCc1cc(N(C)CCN2CCCC2)ccc1CCN
InChIInChI=1S/C16H27N3/c1-14-13-16(6-5-15(14)7-8-17)18(2)11-12-19-9-3-4-10-19/h5-6,13H,3-4,7-12,17H2,1-2H3
InChIKeyQFXVGQNTGVGELS-UHFFFAOYSA-N
XLogP2.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline (CID 63784792) is 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline is Cc1cc(N(C)CCN2CCCC2)ccc1CCN.
What is the InChIKey of 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is QFXVGQNTGVGELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-14-13-16(6-5-15(14)7-8-17)18(2)11-12-19-9-3-4-10-19/h5-6,13H,3-4,7-12,17H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline?
4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 261.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 63784792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).