3-(4-butylphenyl)pyrrolidin-1-amine

C14H22N2 — CID 121406850

IUPAC3-(4-butylphenyl)pyrrolidin-1-amine
SMILESCCCCc1ccc(C2CCN(N)C2)cc1
InChIInChI=1S/C14H22N2/c1-2-3-4-12-5-7-13(8-6-12)14-9-10-16(15)11-14/h5-8,14H,2-4,9-11,15H2,1H3
InChIKeyHQEJVRFITSDAFU-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.69
Rot. Bonds4

About 3-(4-butylphenyl)pyrrolidin-1-amine

3-(4-butylphenyl)pyrrolidin-1-amine (PubChem CID 121406850) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-(4-butylphenyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name3-(4-butylphenyl)pyrrolidin-1-amine
PubChem CID121406850
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-(4-butylphenyl)pyrrolidin-1-amine
SMILESCCCCc1ccc(C2CCN(N)C2)cc1
InChIInChI=1S/C14H22N2/c1-2-3-4-12-5-7-13(8-6-12)14-9-10-16(15)11-14/h5-8,14H,2-4,9-11,15H2,1H3
InChIKeyHQEJVRFITSDAFU-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenyl)pyrrolidin-1-amine?
The IUPAC name of 3-(4-butylphenyl)pyrrolidin-1-amine (CID 121406850) is 3-(4-butylphenyl)pyrrolidin-1-amine.
What is the SMILES notation for 3-(4-butylphenyl)pyrrolidin-1-amine?
The canonical SMILES for 3-(4-butylphenyl)pyrrolidin-1-amine is CCCCc1ccc(C2CCN(N)C2)cc1.
What is the InChIKey of 3-(4-butylphenyl)pyrrolidin-1-amine?
The InChIKey is HQEJVRFITSDAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-3-4-12-5-7-13(8-6-12)14-9-10-16(15)11-14/h5-8,14H,2-4,9-11,15H2,1H3.
What are the key properties of 3-(4-butylphenyl)pyrrolidin-1-amine?
3-(4-butylphenyl)pyrrolidin-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenyl)pyrrolidin-1-amine is sourced from PubChem (CID 121406850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).