2-amino-3-ethyl-2-tetradecan-3-yltetradecan-1-ol

C30H63NO — CID 19027516

IUPAC2-amino-3-ethyl-2-tetradecan-3-yltetradecan-1-ol
SMILESCCCCCCCCCCCC(CC)C(N)(CO)C(CC)CCCCCCCCCCC
InChIInChI=1S/C30H63NO/c1-5-9-11-13-15-17-19-21-23-25-28(7-3)30(31,27-32)29(8-4)26-24-22-20-18-16-14-12-10-6-2/h28-29,32H,5-27,31H2,1-4H3
InChIKeyICMYJRJGBHZHNF-UHFFFAOYSA-N
MW453.84 g/mol
LogP9.57
Rot. Bonds25

About 2-amino-3-ethyl-2-tetradecan-3-yltetradecan-1-ol

2-amino-3-ethyl-2-tetradecan-3-yltetradecan-1-ol (PubChem CID 19027516) has the molecular formula C30H63NO and a molecular weight of 453.84 g/mol. Its IUPAC name is 2-amino-3-ethyl-2-tetradecan-3-yltetradecan-1-ol.

Molecular Properties

Compound Name2-amino-3-ethyl-2-tetradecan-3-yltetradecan-1-ol
PubChem CID19027516
Molecular FormulaC30H63NO
Molecular Weight453.84 g/mol
Exact Mass453.49
IUPAC Name2-amino-3-ethyl-2-tetradecan-3-yltetradecan-1-ol
SMILESCCCCCCCCCCCC(CC)C(N)(CO)C(CC)CCCCCCCCCCC
InChIInChI=1S/C30H63NO/c1-5-9-11-13-15-17-19-21-23-25-28(7-3)30(31,27-32)29(8-4)26-24-22-20-18-16-14-12-10-6-2/h28-29,32H,5-27,31H2,1-4H3
InChIKeyICMYJRJGBHZHNF-UHFFFAOYSA-N
XLogP9.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.84
LogP ≤ 59.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-amino-3-ethyl-2-tetradecan-3-yltetradecan-1-ol?
The IUPAC name of 2-amino-3-ethyl-2-tetradecan-3-yltetradecan-1-ol (CID 19027516) is 2-amino-3-ethyl-2-tetradecan-3-yltetradecan-1-ol.
What is the SMILES notation for 2-amino-3-ethyl-2-tetradecan-3-yltetradecan-1-ol?
The canonical SMILES for 2-amino-3-ethyl-2-tetradecan-3-yltetradecan-1-ol is CCCCCCCCCCCC(CC)C(N)(CO)C(CC)CCCCCCCCCCC.
What is the InChIKey of 2-amino-3-ethyl-2-tetradecan-3-yltetradecan-1-ol?
The InChIKey is ICMYJRJGBHZHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63NO/c1-5-9-11-13-15-17-19-21-23-25-28(7-3)30(31,27-32)29(8-4)26-24-22-20-18-16-14-12-10-6-2/h28-29,32H,5-27,31H2,1-4H3.
What are the key properties of 2-amino-3-ethyl-2-tetradecan-3-yltetradecan-1-ol?
2-amino-3-ethyl-2-tetradecan-3-yltetradecan-1-ol has a molecular weight of 453.84 g/mol, XLogP of 9.57, 25 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethyl-2-tetradecan-3-yltetradecan-1-ol is sourced from PubChem (CID 19027516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).