1-aminohenicosan-2-ol

C21H45NO — CID 88605177

IUPAC1-aminohenicosan-2-ol
SMILESCCCCCCCCCCCCCCCCCCCC(O)CN
InChIInChI=1S/C21H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22/h21,23H,2-20,22H2,1H3
InChIKeyLNKYECUJQSYVMZ-UHFFFAOYSA-N
MW327.60 g/mol
LogP6.35
Rot. Bonds19

About 1-aminohenicosan-2-ol

1-aminohenicosan-2-ol (PubChem CID 88605177) has the molecular formula C21H45NO and a molecular weight of 327.60 g/mol. Its IUPAC name is 1-aminohenicosan-2-ol.

Molecular Properties

Compound Name1-aminohenicosan-2-ol
PubChem CID88605177
Molecular FormulaC21H45NO
Molecular Weight327.60 g/mol
Exact Mass327.35
IUPAC Name1-aminohenicosan-2-ol
SMILESCCCCCCCCCCCCCCCCCCCC(O)CN
InChIInChI=1S/C21H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22/h21,23H,2-20,22H2,1H3
InChIKeyLNKYECUJQSYVMZ-UHFFFAOYSA-N
XLogP6.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.60
LogP ≤ 56.35
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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Related Compounds

(2R)-1-aminooctan-2-ol
CID 13476237
1-aminotetradecan-2-ol;sulfuric acid
CID 158919972
1-aminoheptan-2-ol;phosphoric acid
CID 174932535
1,24-diaminotetracosane-2,23-diol
CID 175286632
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
tetracosan-6-ol
CID 154265400
icosan-9-ol
CID 11983377
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437

Frequently Asked Questions

What is the IUPAC name of 1-aminohenicosan-2-ol?
The IUPAC name of 1-aminohenicosan-2-ol (CID 88605177) is 1-aminohenicosan-2-ol.
What is the SMILES notation for 1-aminohenicosan-2-ol?
The canonical SMILES for 1-aminohenicosan-2-ol is CCCCCCCCCCCCCCCCCCCC(O)CN.
What is the InChIKey of 1-aminohenicosan-2-ol?
The InChIKey is LNKYECUJQSYVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22/h21,23H,2-20,22H2,1H3.
What are the key properties of 1-aminohenicosan-2-ol?
1-aminohenicosan-2-ol has a molecular weight of 327.60 g/mol, XLogP of 6.35, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminohenicosan-2-ol is sourced from PubChem (CID 88605177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).