36-aminohexatriacontan-1-ol

C36H75NO — CID 87686190

IUPAC36-aminohexatriacontan-1-ol
SMILESNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C36H75NO/c37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38/h38H,1-37H2
InChIKeyOZLMBXDXTJEYKT-UHFFFAOYSA-N
MW538.00 g/mol
LogP12.20
Rot. Bonds35

About 36-aminohexatriacontan-1-ol

36-aminohexatriacontan-1-ol (PubChem CID 87686190) has the molecular formula C36H75NO and a molecular weight of 538.00 g/mol. Its IUPAC name is 36-aminohexatriacontan-1-ol.

Molecular Properties

Compound Name36-aminohexatriacontan-1-ol
PubChem CID87686190
Molecular FormulaC36H75NO
Molecular Weight538.00 g/mol
Exact Mass537.58
IUPAC Name36-aminohexatriacontan-1-ol
SMILESNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C36H75NO/c37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38/h38H,1-37H2
InChIKeyOZLMBXDXTJEYKT-UHFFFAOYSA-N
XLogP12.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds35
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.00
LogP ≤ 512.20
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

6-aminohexan-1-ol;hydrochloride
CID 21259387
dodecan-1-amine;hexan-1-ol
CID 90011077
2-aminoethanol;butane-1,4-diol
CID 135347340
acetic acid;5-aminopentan-1-ol
CID 71566788
6-[4-aminobutyl(hydroxy)amino]hexan-1-ol
CID 167290111
octatriacontane-1,38-diamine
CID 54235792
hexane-1,6-diol;octane-1,8-diol
CID 21202869
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055

Frequently Asked Questions

What is the IUPAC name of 36-aminohexatriacontan-1-ol?
The IUPAC name of 36-aminohexatriacontan-1-ol (CID 87686190) is 36-aminohexatriacontan-1-ol.
What is the SMILES notation for 36-aminohexatriacontan-1-ol?
The canonical SMILES for 36-aminohexatriacontan-1-ol is NCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of 36-aminohexatriacontan-1-ol?
The InChIKey is OZLMBXDXTJEYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H75NO/c37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38/h38H,1-37H2.
What are the key properties of 36-aminohexatriacontan-1-ol?
36-aminohexatriacontan-1-ol has a molecular weight of 538.00 g/mol, XLogP of 12.20, 35 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 36-aminohexatriacontan-1-ol is sourced from PubChem (CID 87686190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).