azane;1-methoxy-2-methylpropane;hydrochloride

C5H16ClNO — CID 87536113

IUPACazane;1-methoxy-2-methylpropane;hydrochloride
SMILESCOCC(C)C.Cl.N
InChIInChI=1S/C5H12O.ClH.H3N/c1-5(2)4-6-3;;/h5H,4H2,1-3H3;1H;1H3
InChIKeyGYKSESYPYLISRT-UHFFFAOYSA-N
MW141.64 g/mol
LogP1.87
Rot. Bonds2

About azane;1-methoxy-2-methylpropane;hydrochloride

azane;1-methoxy-2-methylpropane;hydrochloride (PubChem CID 87536113) has the molecular formula C5H16ClNO and a molecular weight of 141.64 g/mol. Its IUPAC name is azane;1-methoxy-2-methylpropane;hydrochloride.

Molecular Properties

Compound Nameazane;1-methoxy-2-methylpropane;hydrochloride
PubChem CID87536113
Molecular FormulaC5H16ClNO
Molecular Weight141.64 g/mol
Exact Mass141.09
IUPAC Nameazane;1-methoxy-2-methylpropane;hydrochloride
SMILESCOCC(C)C.Cl.N
InChIInChI=1S/C5H12O.ClH.H3N/c1-5(2)4-6-3;;/h5H,4H2,1-3H3;1H;1H3
InChIKeyGYKSESYPYLISRT-UHFFFAOYSA-N
XLogP1.87
TPSA44.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.64
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze azane;1-methoxy-2-methylpropane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;1-methoxy-2-methylpropane;hydrochloride?
The IUPAC name of azane;1-methoxy-2-methylpropane;hydrochloride (CID 87536113) is azane;1-methoxy-2-methylpropane;hydrochloride.
What is the SMILES notation for azane;1-methoxy-2-methylpropane;hydrochloride?
The canonical SMILES for azane;1-methoxy-2-methylpropane;hydrochloride is COCC(C)C.Cl.N.
What is the InChIKey of azane;1-methoxy-2-methylpropane;hydrochloride?
The InChIKey is GYKSESYPYLISRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.ClH.H3N/c1-5(2)4-6-3;;/h5H,4H2,1-3H3;1H;1H3.
What are the key properties of azane;1-methoxy-2-methylpropane;hydrochloride?
azane;1-methoxy-2-methylpropane;hydrochloride has a molecular weight of 141.64 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-methoxy-2-methylpropane;hydrochloride is sourced from PubChem (CID 87536113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).