azane;cumene;hydrochloride

C9H16ClN — CID 175202155

IUPACazane;cumene;hydrochloride
SMILESCC(C)c1ccccc1.Cl.N
InChIInChI=1S/C9H12.ClH.H3N/c1-8(2)9-6-4-3-5-7-9;;/h3-8H,1-2H3;1H;1H3
InChIKeyDLEFNFYMEDIOSX-UHFFFAOYSA-N
MW173.69 g/mol
LogP3.39
Rot. Bonds1

About azane;cumene;hydrochloride

azane;cumene;hydrochloride (PubChem CID 175202155) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is azane;cumene;hydrochloride.

Molecular Properties

Compound Nameazane;cumene;hydrochloride
PubChem CID175202155
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC Nameazane;cumene;hydrochloride
SMILESCC(C)c1ccccc1.Cl.N
InChIInChI=1S/C9H12.ClH.H3N/c1-8(2)9-6-4-3-5-7-9;;/h3-8H,1-2H3;1H;1H3
InChIKeyDLEFNFYMEDIOSX-UHFFFAOYSA-N
XLogP3.39
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze azane;cumene;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
cumene;zinc
CID 159490121
cumene;hydrogen peroxide
CID 21225480
cumene;2-methylpropane
CID 90828344
cumene;ethane
CID 54306132
CID 160506105
CID 160506105
cumene;ethane;bis(2-methylpropane)
CID 161044029
cumene;methanethiol
CID 170640582
cumene;ruthenium(2+);dichloride
CID 23094461
copper;cumene;manganese
CID 175691003

Frequently Asked Questions

What is the IUPAC name of azane;cumene;hydrochloride?
The IUPAC name of azane;cumene;hydrochloride (CID 175202155) is azane;cumene;hydrochloride.
What is the SMILES notation for azane;cumene;hydrochloride?
The canonical SMILES for azane;cumene;hydrochloride is CC(C)c1ccccc1.Cl.N.
What is the InChIKey of azane;cumene;hydrochloride?
The InChIKey is DLEFNFYMEDIOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.ClH.H3N/c1-8(2)9-6-4-3-5-7-9;;/h3-8H,1-2H3;1H;1H3.
What are the key properties of azane;cumene;hydrochloride?
azane;cumene;hydrochloride has a molecular weight of 173.69 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cumene;hydrochloride is sourced from PubChem (CID 175202155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).