14-(oxidoamino)tetradecane-1,1-diol

C14H30NO3- — CID 87132347

IUPAC14-(oxidoamino)tetradecane-1,1-diol
SMILES[O-]NCCCCCCCCCCCCCC(O)O
InChIInChI=1S/C14H30NO3/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15-18/h14-17H,1-13H2/q-1
InChIKeyCAXGEFFZCZZKIF-UHFFFAOYSA-N
MW260.40 g/mol
LogP3.07
Rot. Bonds14

About 14-(oxidoamino)tetradecane-1,1-diol

14-(oxidoamino)tetradecane-1,1-diol (PubChem CID 87132347) has the molecular formula C14H30NO3- and a molecular weight of 260.40 g/mol. Its IUPAC name is 14-(oxidoamino)tetradecane-1,1-diol.

Molecular Properties

Compound Name14-(oxidoamino)tetradecane-1,1-diol
PubChem CID87132347
Molecular FormulaC14H30NO3-
Molecular Weight260.40 g/mol
Exact Mass260.22
IUPAC Name14-(oxidoamino)tetradecane-1,1-diol
SMILES[O-]NCCCCCCCCCCCCCC(O)O
InChIInChI=1S/C14H30NO3/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15-18/h14-17H,1-13H2/q-1
InChIKeyCAXGEFFZCZZKIF-UHFFFAOYSA-N
XLogP3.07
TPSA75.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

octane-1,1,8,8-tetrol
CID 88519685
8-methyl-N-oxidononan-1-amine
CID 170430879
10-(methylamino)decane-1,1-diol
CID 151651816
7-(1-hydroxypropylamino)heptane-1,1-diol
CID 149148660
17-(hydroxyamino)heptadecane-1,1,17-triol
CID 123788893
18-methyl-N-oxidononadec-9-en-1-amine
CID 173000283
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
decane;dodecane-1,1-diol
CID 162011285
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
N-oxidohexatriacontan-1-amine
CID 141154892
nonacosane-1,1-diol
CID 23066924
14-aminotetradecane-1,1-diol
CID 87370531

Frequently Asked Questions

What is the IUPAC name of 14-(oxidoamino)tetradecane-1,1-diol?
The IUPAC name of 14-(oxidoamino)tetradecane-1,1-diol (CID 87132347) is 14-(oxidoamino)tetradecane-1,1-diol.
What is the SMILES notation for 14-(oxidoamino)tetradecane-1,1-diol?
The canonical SMILES for 14-(oxidoamino)tetradecane-1,1-diol is [O-]NCCCCCCCCCCCCCC(O)O.
What is the InChIKey of 14-(oxidoamino)tetradecane-1,1-diol?
The InChIKey is CAXGEFFZCZZKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30NO3/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15-18/h14-17H,1-13H2/q-1.
What are the key properties of 14-(oxidoamino)tetradecane-1,1-diol?
14-(oxidoamino)tetradecane-1,1-diol has a molecular weight of 260.40 g/mol, XLogP of 3.07, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(oxidoamino)tetradecane-1,1-diol is sourced from PubChem (CID 87132347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).