2-amino-14,16-dimethyloctadecan-3-ol

C20H43NO — CID 10236627

IUPAC2-amino-14,16-dimethyloctadecan-3-ol
SMILESCCC(C)CC(C)CCCCCCCCCCC(O)C(C)N
InChIInChI=1S/C20H43NO/c1-5-17(2)16-18(3)14-12-10-8-6-7-9-11-13-15-20(22)19(4)21/h17-20,22H,5-16,21H2,1-4H3
InChIKeyPRIXJBFEYXJGPF-UHFFFAOYSA-N
MW313.57 g/mol
LogP5.67
Rot. Bonds15

About 2-amino-14,16-dimethyloctadecan-3-ol

2-amino-14,16-dimethyloctadecan-3-ol (PubChem CID 10236627) has the molecular formula C20H43NO and a molecular weight of 313.57 g/mol. Its IUPAC name is 2-amino-14,16-dimethyloctadecan-3-ol.

Molecular Properties

Compound Name2-amino-14,16-dimethyloctadecan-3-ol
PubChem CID10236627
Molecular FormulaC20H43NO
Molecular Weight313.57 g/mol
Exact Mass313.33
IUPAC Name2-amino-14,16-dimethyloctadecan-3-ol
SMILESCCC(C)CC(C)CCCCCCCCCCC(O)C(C)N
InChIInChI=1S/C20H43NO/c1-5-17(2)16-18(3)14-12-10-8-6-7-9-11-13-15-20(22)19(4)21/h17-20,22H,5-16,21H2,1-4H3
InChIKeyPRIXJBFEYXJGPF-UHFFFAOYSA-N
XLogP5.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.57
LogP ≤ 55.67
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-14,16-dimethyloctadecan-3-ol?
The IUPAC name of 2-amino-14,16-dimethyloctadecan-3-ol (CID 10236627) is 2-amino-14,16-dimethyloctadecan-3-ol.
What is the SMILES notation for 2-amino-14,16-dimethyloctadecan-3-ol?
The canonical SMILES for 2-amino-14,16-dimethyloctadecan-3-ol is CCC(C)CC(C)CCCCCCCCCCC(O)C(C)N.
What is the InChIKey of 2-amino-14,16-dimethyloctadecan-3-ol?
The InChIKey is PRIXJBFEYXJGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO/c1-5-17(2)16-18(3)14-12-10-8-6-7-9-11-13-15-20(22)19(4)21/h17-20,22H,5-16,21H2,1-4H3.
What are the key properties of 2-amino-14,16-dimethyloctadecan-3-ol?
2-amino-14,16-dimethyloctadecan-3-ol has a molecular weight of 313.57 g/mol, XLogP of 5.67, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-14,16-dimethyloctadecan-3-ol is sourced from PubChem (CID 10236627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).