azane;3-methylpentan-3-ol

C6H17NO — CID 87107560

IUPACazane;3-methylpentan-3-ol
SMILESCCC(C)(O)CC.N
InChIInChI=1S/C6H14O.H3N/c1-4-6(3,7)5-2;/h7H,4-5H2,1-3H3;1H3
InChIKeyLALPXGBCMOGESK-UHFFFAOYSA-N
MW119.21 g/mol
LogP1.72
Rot. Bonds2

About azane;3-methylpentan-3-ol

azane;3-methylpentan-3-ol (PubChem CID 87107560) has the molecular formula C6H17NO and a molecular weight of 119.21 g/mol. Its IUPAC name is azane;3-methylpentan-3-ol.

Molecular Properties

Compound Nameazane;3-methylpentan-3-ol
PubChem CID87107560
Molecular FormulaC6H17NO
Molecular Weight119.21 g/mol
Exact Mass119.13
IUPAC Nameazane;3-methylpentan-3-ol
SMILESCCC(C)(O)CC.N
InChIInChI=1S/C6H14O.H3N/c1-4-6(3,7)5-2;/h7H,4-5H2,1-3H3;1H3
InChIKeyLALPXGBCMOGESK-UHFFFAOYSA-N
XLogP1.72
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.21
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

hafnium;3-methylpentan-3-ol
CID 154175223
acetaldehyde;3-methylpentan-3-ol
CID 174322693
1-amino-2-methylbutan-2-ol;hydrochloride
CID 87715344
3-methylpentan-2-ol;3-methylpentan-3-ol
CID 158561904
1-chloro-3-methylpentan-3-ol
CID 537896
1-amino-3-methylpentan-3-ol
CID 54320456
sodium;hydride;3-methylhexan-3-ol
CID 175384887
azane;3-methylhenicosan-3-ol;hydrochloride
CID 173459542
1-[hydroxy(dimethyl)silyl]-2-methylbutan-2-ol
CID 173175101
3,5-dimethylhex-5-en-3-ol
CID 552026
(2R)-2-methyl-1-nitrosobutan-2-ol
CID 163543880
6,6,6-trifluoro-3-methylhexan-3-ol
CID 64565342

Frequently Asked Questions

What is the IUPAC name of azane;3-methylpentan-3-ol?
The IUPAC name of azane;3-methylpentan-3-ol (CID 87107560) is azane;3-methylpentan-3-ol.
What is the SMILES notation for azane;3-methylpentan-3-ol?
The canonical SMILES for azane;3-methylpentan-3-ol is CCC(C)(O)CC.N.
What is the InChIKey of azane;3-methylpentan-3-ol?
The InChIKey is LALPXGBCMOGESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.H3N/c1-4-6(3,7)5-2;/h7H,4-5H2,1-3H3;1H3.
What are the key properties of azane;3-methylpentan-3-ol?
azane;3-methylpentan-3-ol has a molecular weight of 119.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-methylpentan-3-ol is sourced from PubChem (CID 87107560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).