1-(2-aminoethyl)-N-pentadecylpiperidin-4-amine

C22H47N3 — CID 44592859

IUPAC1-(2-aminoethyl)-N-pentadecylpiperidin-4-amine
SMILESCCCCCCCCCCCCCCCNC1CCN(CCN)CC1
InChIInChI=1S/C22H47N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-22-15-19-25(20-16-22)21-17-23/h22,24H,2-21,23H2,1H3
InChIKeyBUGITICATHPZBS-UHFFFAOYSA-N
MW353.64 g/mol
LogP5.09
Rot. Bonds17

About 1-(2-aminoethyl)-N-pentadecylpiperidin-4-amine

1-(2-aminoethyl)-N-pentadecylpiperidin-4-amine (PubChem CID 44592859) has the molecular formula C22H47N3 and a molecular weight of 353.64 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-pentadecylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-pentadecylpiperidin-4-amine
PubChem CID44592859
Molecular FormulaC22H47N3
Molecular Weight353.64 g/mol
Exact Mass353.38
IUPAC Name1-(2-aminoethyl)-N-pentadecylpiperidin-4-amine
SMILESCCCCCCCCCCCCCCCNC1CCN(CCN)CC1
InChIInChI=1S/C22H47N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-22-15-19-25(20-16-22)21-17-23/h22,24H,2-21,23H2,1H3
InChIKeyBUGITICATHPZBS-UHFFFAOYSA-N
XLogP5.09
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-pentadecylpiperidin-4-amine?
The IUPAC name of 1-(2-aminoethyl)-N-pentadecylpiperidin-4-amine (CID 44592859) is 1-(2-aminoethyl)-N-pentadecylpiperidin-4-amine.
What is the SMILES notation for 1-(2-aminoethyl)-N-pentadecylpiperidin-4-amine?
The canonical SMILES for 1-(2-aminoethyl)-N-pentadecylpiperidin-4-amine is CCCCCCCCCCCCCCCNC1CCN(CCN)CC1.
What is the InChIKey of 1-(2-aminoethyl)-N-pentadecylpiperidin-4-amine?
The InChIKey is BUGITICATHPZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-22-15-19-25(20-16-22)21-17-23/h22,24H,2-21,23H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-pentadecylpiperidin-4-amine?
1-(2-aminoethyl)-N-pentadecylpiperidin-4-amine has a molecular weight of 353.64 g/mol, XLogP of 5.09, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-pentadecylpiperidin-4-amine is sourced from PubChem (CID 44592859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).