1-(dimethylamino)octane-2,7-diol

C10H23NO2 — CID 123214691

IUPAC1-(dimethylamino)octane-2,7-diol
SMILESCC(O)CCCCC(O)CN(C)C
InChIInChI=1S/C10H23NO2/c1-9(12)6-4-5-7-10(13)8-11(2)3/h9-10,12-13H,4-8H2,1-3H3
InChIKeyOXTPEMPYAHCHTD-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.85
Rot. Bonds7

About 1-(dimethylamino)octane-2,7-diol

1-(dimethylamino)octane-2,7-diol (PubChem CID 123214691) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(dimethylamino)octane-2,7-diol.

Molecular Properties

Compound Name1-(dimethylamino)octane-2,7-diol
PubChem CID123214691
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1-(dimethylamino)octane-2,7-diol
SMILESCC(O)CCCCC(O)CN(C)C
InChIInChI=1S/C10H23NO2/c1-9(12)6-4-5-7-10(13)8-11(2)3/h9-10,12-13H,4-8H2,1-3H3
InChIKeyOXTPEMPYAHCHTD-UHFFFAOYSA-N
XLogP0.85
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,7-bis(dimethylamino)heptane-2,6-diol
CID 122517238
1-(dimethylamino)-5-methylsulfonylpentan-2-ol
CID 79087206
10-methylundecane-2,6-diol
CID 88681561
(Z)-1-(dimethylamino)icos-11-en-2-ol
CID 90344729
(2S)-1-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]dodecan-2-ol
CID 129387119
octadecane-2,14-diol
CID 170722506
(3S,25S)-hexacosane-1,3,25-triol
CID 163073285
4-amino-1-(dimethylamino)butan-2-ol;hydrochloride
CID 83967321
6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol
CID 63701347
10-chlorodecan-2-ol
CID 139625659
(2R)-9-chlorononan-2-ol
CID 139766902
1-(dimethylamino)-5-phenylpentan-2-ol
CID 79087865

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)octane-2,7-diol?
The IUPAC name of 1-(dimethylamino)octane-2,7-diol (CID 123214691) is 1-(dimethylamino)octane-2,7-diol.
What is the SMILES notation for 1-(dimethylamino)octane-2,7-diol?
The canonical SMILES for 1-(dimethylamino)octane-2,7-diol is CC(O)CCCCC(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)octane-2,7-diol?
The InChIKey is OXTPEMPYAHCHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-9(12)6-4-5-7-10(13)8-11(2)3/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 1-(dimethylamino)octane-2,7-diol?
1-(dimethylamino)octane-2,7-diol has a molecular weight of 189.30 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)octane-2,7-diol is sourced from PubChem (CID 123214691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).