4-[1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline

C16H25N3 — CID 63171627

IUPAC4-[1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline
SMILESCC(c1ccc(N)cc1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H25N3/c1-13(14-4-6-15(17)7-5-14)19-11-8-16(12-19)18-9-2-3-10-18/h4-7,13,16H,2-3,8-12,17H2,1H3
InChIKeyDKYGKWZRDVXLQA-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.50
Rot. Bonds3

About 4-[1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline

4-[1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline (PubChem CID 63171627) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-[1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-[1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline
PubChem CID63171627
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-[1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline
SMILESCC(c1ccc(N)cc1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H25N3/c1-13(14-4-6-15(17)7-5-14)19-11-8-16(12-19)18-9-2-3-10-18/h4-7,13,16H,2-3,8-12,17H2,1H3
InChIKeyDKYGKWZRDVXLQA-UHFFFAOYSA-N
XLogP2.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-yl]aniline
CID 104501664
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
1-pyridin-4-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171978
1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63171581
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine
CID 130220331
2-(1-pyridin-3-ylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79673428
5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol
CID 82961971
(1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 78936816
1-(3-bromophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171539
1-(3-chlorophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171714
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64707229

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline?
The IUPAC name of 4-[1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline (CID 63171627) is 4-[1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline.
What is the SMILES notation for 4-[1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline?
The canonical SMILES for 4-[1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline is CC(c1ccc(N)cc1)N1CCC(N2CCCC2)C1.
What is the InChIKey of 4-[1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline?
The InChIKey is DKYGKWZRDVXLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13(14-4-6-15(17)7-5-14)19-11-8-16(12-19)18-9-2-3-10-18/h4-7,13,16H,2-3,8-12,17H2,1H3.
What are the key properties of 4-[1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline?
4-[1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline has a molecular weight of 259.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline is sourced from PubChem (CID 63171627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).