azane;3-ethylhexan-3-ol;hydrochloride

C8H22ClNO — CID 175147879

IUPACazane;3-ethylhexan-3-ol;hydrochloride
SMILESCCCC(O)(CC)CC.Cl.N
InChIInChI=1S/C8H18O.ClH.H3N/c1-4-7-8(9,5-2)6-3;;/h9H,4-7H2,1-3H3;1H;1H3
InChIKeyPNLMUUOJGMEGOV-UHFFFAOYSA-N
MW183.72 g/mol
LogP2.92
Rot. Bonds4

About azane;3-ethylhexan-3-ol;hydrochloride

azane;3-ethylhexan-3-ol;hydrochloride (PubChem CID 175147879) has the molecular formula C8H22ClNO and a molecular weight of 183.72 g/mol. Its IUPAC name is azane;3-ethylhexan-3-ol;hydrochloride.

Molecular Properties

Compound Nameazane;3-ethylhexan-3-ol;hydrochloride
PubChem CID175147879
Molecular FormulaC8H22ClNO
Molecular Weight183.72 g/mol
Exact Mass183.14
IUPAC Nameazane;3-ethylhexan-3-ol;hydrochloride
SMILESCCCC(O)(CC)CC.Cl.N
InChIInChI=1S/C8H18O.ClH.H3N/c1-4-7-8(9,5-2)6-3;;/h9H,4-7H2,1-3H3;1H;1H3
InChIKeyPNLMUUOJGMEGOV-UHFFFAOYSA-N
XLogP2.92
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.72
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5-ethyl-5-hydroxyheptan-2-one
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4-ethyl-4-hydroxyhexanoic acid
CID 18462839
3-hydroxy-3-propylhexanenitrile
CID 114867092
6-ethyl-3-methylnonane-4,6-diol
CID 87743551
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CID 88749584

Frequently Asked Questions

What is the IUPAC name of azane;3-ethylhexan-3-ol;hydrochloride?
The IUPAC name of azane;3-ethylhexan-3-ol;hydrochloride (CID 175147879) is azane;3-ethylhexan-3-ol;hydrochloride.
What is the SMILES notation for azane;3-ethylhexan-3-ol;hydrochloride?
The canonical SMILES for azane;3-ethylhexan-3-ol;hydrochloride is CCCC(O)(CC)CC.Cl.N.
What is the InChIKey of azane;3-ethylhexan-3-ol;hydrochloride?
The InChIKey is PNLMUUOJGMEGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.ClH.H3N/c1-4-7-8(9,5-2)6-3;;/h9H,4-7H2,1-3H3;1H;1H3.
What are the key properties of azane;3-ethylhexan-3-ol;hydrochloride?
azane;3-ethylhexan-3-ol;hydrochloride has a molecular weight of 183.72 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-ethylhexan-3-ol;hydrochloride is sourced from PubChem (CID 175147879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).