1-(dimethylamino)decane-1,10-diol

C12H27NO2 — CID 139819105

IUPAC1-(dimethylamino)decane-1,10-diol
SMILESCN(C)C(O)CCCCCCCCCO
InChIInChI=1S/C12H27NO2/c1-13(2)12(15)10-8-6-4-3-5-7-9-11-14/h12,14-15H,3-11H2,1-2H3
InChIKeyKXJOQOLZLCNEQI-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.98
Rot. Bonds10

About 1-(dimethylamino)decane-1,10-diol

1-(dimethylamino)decane-1,10-diol (PubChem CID 139819105) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-(dimethylamino)decane-1,10-diol.

Molecular Properties

Compound Name1-(dimethylamino)decane-1,10-diol
PubChem CID139819105
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-(dimethylamino)decane-1,10-diol
SMILESCN(C)C(O)CCCCCCCCCO
InChIInChI=1S/C12H27NO2/c1-13(2)12(15)10-8-6-4-3-5-7-9-11-14/h12,14-15H,3-11H2,1-2H3
InChIKeyKXJOQOLZLCNEQI-UHFFFAOYSA-N
XLogP1.98
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)pentadecan-1-ol
CID 87151804
(10S)-undecane-1,10-diol
CID 129382222
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
hexadecane-1,8,16-triol
CID 11403100
tridecane-1,4,5,13-tetrol
CID 57164237
tridecane-1,4,13-triol
CID 90439734
undecane-1,9-diol
CID 56629636
decane-1,8-diol
CID 160857478
icosane-1,18-diol
CID 87114916

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)decane-1,10-diol?
The IUPAC name of 1-(dimethylamino)decane-1,10-diol (CID 139819105) is 1-(dimethylamino)decane-1,10-diol.
What is the SMILES notation for 1-(dimethylamino)decane-1,10-diol?
The canonical SMILES for 1-(dimethylamino)decane-1,10-diol is CN(C)C(O)CCCCCCCCCO.
What is the InChIKey of 1-(dimethylamino)decane-1,10-diol?
The InChIKey is KXJOQOLZLCNEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-13(2)12(15)10-8-6-4-3-5-7-9-11-14/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 1-(dimethylamino)decane-1,10-diol?
1-(dimethylamino)decane-1,10-diol has a molecular weight of 217.35 g/mol, XLogP of 1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)decane-1,10-diol is sourced from PubChem (CID 139819105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).