1,7-bis(dimethylamino)heptane-2,6-diol

C11H26N2O2 — CID 122517238

IUPAC1,7-bis(dimethylamino)heptane-2,6-diol
SMILESCN(C)CC(O)CCCC(O)CN(C)C
InChIInChI=1S/C11H26N2O2/c1-12(2)8-10(14)6-5-7-11(15)9-13(3)4/h10-11,14-15H,5-9H2,1-4H3
InChIKeyZWYPXZHEKCNVRZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.00
Rot. Bonds8

About 1,7-bis(dimethylamino)heptane-2,6-diol

1,7-bis(dimethylamino)heptane-2,6-diol (PubChem CID 122517238) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1,7-bis(dimethylamino)heptane-2,6-diol.

Molecular Properties

Compound Name1,7-bis(dimethylamino)heptane-2,6-diol
PubChem CID122517238
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name1,7-bis(dimethylamino)heptane-2,6-diol
SMILESCN(C)CC(O)CCCC(O)CN(C)C
InChIInChI=1S/C11H26N2O2/c1-12(2)8-10(14)6-5-7-11(15)9-13(3)4/h10-11,14-15H,5-9H2,1-4H3
InChIKeyZWYPXZHEKCNVRZ-UHFFFAOYSA-N
XLogP0.00
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-1-(dimethylamino)-3-sulfanylpropan-2-ol
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CID 139658623
1-(dimethylamino)-3-(methylamino)propan-2-ol
CID 12700841
bis(1-chloro-3-(dimethylamino)propan-2-ol);propane;dihydrochloride
CID 173321209
nonane-3,7-diol
CID 22141483
potassium;[4-(dimethylamino)-3-hydroxybutyl] dihydrogen phosphate;hydride
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CID 162693417

Frequently Asked Questions

What is the IUPAC name of 1,7-bis(dimethylamino)heptane-2,6-diol?
The IUPAC name of 1,7-bis(dimethylamino)heptane-2,6-diol (CID 122517238) is 1,7-bis(dimethylamino)heptane-2,6-diol.
What is the SMILES notation for 1,7-bis(dimethylamino)heptane-2,6-diol?
The canonical SMILES for 1,7-bis(dimethylamino)heptane-2,6-diol is CN(C)CC(O)CCCC(O)CN(C)C.
What is the InChIKey of 1,7-bis(dimethylamino)heptane-2,6-diol?
The InChIKey is ZWYPXZHEKCNVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-12(2)8-10(14)6-5-7-11(15)9-13(3)4/h10-11,14-15H,5-9H2,1-4H3.
What are the key properties of 1,7-bis(dimethylamino)heptane-2,6-diol?
1,7-bis(dimethylamino)heptane-2,6-diol has a molecular weight of 218.34 g/mol, XLogP of 0.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis(dimethylamino)heptane-2,6-diol is sourced from PubChem (CID 122517238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).