2-(dimethylamino)-2-methylpentane-1,4-diol

C8H19NO2 — CID 141466310

IUPAC2-(dimethylamino)-2-methylpentane-1,4-diol
SMILESCC(O)CC(C)(CO)N(C)C
InChIInChI=1S/C8H19NO2/c1-7(11)5-8(2,6-10)9(3)4/h7,10-11H,5-6H2,1-4H3
InChIKeyBVLYWFQMUWPBHE-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.07
Rot. Bonds4

About 2-(dimethylamino)-2-methylpentane-1,4-diol

2-(dimethylamino)-2-methylpentane-1,4-diol (PubChem CID 141466310) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methylpentane-1,4-diol.

Molecular Properties

Compound Name2-(dimethylamino)-2-methylpentane-1,4-diol
PubChem CID141466310
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-(dimethylamino)-2-methylpentane-1,4-diol
SMILESCC(O)CC(C)(CO)N(C)C
InChIInChI=1S/C8H19NO2/c1-7(11)5-8(2,6-10)9(3)4/h7,10-11H,5-6H2,1-4H3
InChIKeyBVLYWFQMUWPBHE-UHFFFAOYSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)pentane-2,4-diol
CID 57216279
(2S)-2-(dimethylamino)-2-methylbutan-1-ol
CID 130124788
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
2-ethyl-2-methylpentane-1,4-diol
CID 57298661
[tert-butyl-(5-hydroxy-3-methylhexan-3-yl)amino]oxidanium
CID 163922405
4-methylheptane-2,4,6-triol
CID 90439710
2-methylpentane-2,4-diol
CID 7870
2-methanidylpentane-2,4-diol;zirconium
CID 87932896
(2S)-4,4,5-trimethylhexan-2-ol
CID 164734993
2,2-dimethylpropane-1,3-diol;propan-2-ol
CID 174928286
2-methylpentane-2,4-diol;2-methyl-2-propylpropane-1,3-diol
CID 88709547
4,5-dimethyl-4,5-bis(sulfanyl)hexan-2-ol
CID 175208274

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methylpentane-1,4-diol?
The IUPAC name of 2-(dimethylamino)-2-methylpentane-1,4-diol (CID 141466310) is 2-(dimethylamino)-2-methylpentane-1,4-diol.
What is the SMILES notation for 2-(dimethylamino)-2-methylpentane-1,4-diol?
The canonical SMILES for 2-(dimethylamino)-2-methylpentane-1,4-diol is CC(O)CC(C)(CO)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-methylpentane-1,4-diol?
The InChIKey is BVLYWFQMUWPBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-7(11)5-8(2,6-10)9(3)4/h7,10-11H,5-6H2,1-4H3.
What are the key properties of 2-(dimethylamino)-2-methylpentane-1,4-diol?
2-(dimethylamino)-2-methylpentane-1,4-diol has a molecular weight of 161.24 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methylpentane-1,4-diol is sourced from PubChem (CID 141466310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).