3,4-diethylicosan-3-amine

C24H51N — CID 3014247

IUPAC3,4-diethylicosan-3-amine
SMILESCCCCCCCCCCCCCCCCC(CC)C(N)(CC)CC
InChIInChI=1S/C24H51N/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2)24(25,7-3)8-4/h23H,5-22,25H2,1-4H3
InChIKeyZNNCZQKNUFXJRQ-UHFFFAOYSA-N
MW353.68 g/mol
LogP8.40
Rot. Bonds19

About 3,4-diethylicosan-3-amine

3,4-diethylicosan-3-amine (PubChem CID 3014247) has the molecular formula C24H51N and a molecular weight of 353.68 g/mol. Its IUPAC name is 3,4-diethylicosan-3-amine.

Molecular Properties

Compound Name3,4-diethylicosan-3-amine
PubChem CID3014247
Molecular FormulaC24H51N
Molecular Weight353.68 g/mol
Exact Mass353.40
IUPAC Name3,4-diethylicosan-3-amine
SMILESCCCCCCCCCCCCCCCCC(CC)C(N)(CC)CC
InChIInChI=1S/C24H51N/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2)24(25,7-3)8-4/h23H,5-22,25H2,1-4H3
InChIKeyZNNCZQKNUFXJRQ-UHFFFAOYSA-N
XLogP8.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.68
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3,4-diethylicosan-3-amine?
The IUPAC name of 3,4-diethylicosan-3-amine (CID 3014247) is 3,4-diethylicosan-3-amine.
What is the SMILES notation for 3,4-diethylicosan-3-amine?
The canonical SMILES for 3,4-diethylicosan-3-amine is CCCCCCCCCCCCCCCCC(CC)C(N)(CC)CC.
What is the InChIKey of 3,4-diethylicosan-3-amine?
The InChIKey is ZNNCZQKNUFXJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2)24(25,7-3)8-4/h23H,5-22,25H2,1-4H3.
What are the key properties of 3,4-diethylicosan-3-amine?
3,4-diethylicosan-3-amine has a molecular weight of 353.68 g/mol, XLogP of 8.40, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylicosan-3-amine is sourced from PubChem (CID 3014247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).