6-amino-1-deuteriohexan-1-ol

C6H15NO — CID 175965040

IUPAC6-amino-1-deuteriohexan-1-ol
SMILES[2H]C(O)CCCCCN
InChIInChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2/i6D
InChIKeySUTWPJHCRAITLU-RAMDWTOOSA-N
MW118.20 g/mol
LogP0.50
Rot. Bonds5

About 6-amino-1-deuteriohexan-1-ol

6-amino-1-deuteriohexan-1-ol (PubChem CID 175965040) has the molecular formula C6H15NO and a molecular weight of 118.20 g/mol. Its IUPAC name is 6-amino-1-deuteriohexan-1-ol.

Molecular Properties

Compound Name6-amino-1-deuteriohexan-1-ol
PubChem CID175965040
Molecular FormulaC6H15NO
Molecular Weight118.20 g/mol
Exact Mass118.12
IUPAC Name6-amino-1-deuteriohexan-1-ol
SMILES[2H]C(O)CCCCCN
InChIInChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2/i6D
InChIKeySUTWPJHCRAITLU-RAMDWTOOSA-N
XLogP0.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.50
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

octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
36-aminohexatriacontan-1-ol
CID 87686190
ethanol;octane-1,8-diamine
CID 159247635
6-aminohexan-1-ol;hydrochloride
CID 21259387
hexane-1,6-diamine;platinum
CID 87698683
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
heptane-1,7-diamine;tetrahydrobromide
CID 174950337
octane-1,8-diamine;hydroiodide
CID 166637894
pentane-1,5-diamine;dihydrobromide
CID 87582695
pentane-1,5-diamine;tantalum
CID 159829635

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-deuteriohexan-1-ol?
The IUPAC name of 6-amino-1-deuteriohexan-1-ol (CID 175965040) is 6-amino-1-deuteriohexan-1-ol.
What is the SMILES notation for 6-amino-1-deuteriohexan-1-ol?
The canonical SMILES for 6-amino-1-deuteriohexan-1-ol is [2H]C(O)CCCCCN.
What is the InChIKey of 6-amino-1-deuteriohexan-1-ol?
The InChIKey is SUTWPJHCRAITLU-RAMDWTOOSA-N. The full InChI is InChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2/i6D.
What are the key properties of 6-amino-1-deuteriohexan-1-ol?
6-amino-1-deuteriohexan-1-ol has a molecular weight of 118.20 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-deuteriohexan-1-ol is sourced from PubChem (CID 175965040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).