lithium;benzene;hydride;N-propan-2-ylpropan-2-amine

C12H22LiN — CID 174790507

IUPAClithium;benzene;hydride;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.[H-].[Li+].c1ccccc1
InChIInChI=1S/C6H15N.C6H6.Li.H/c1-5(2)7-6(3)4;1-2-4-6-5-3-1;;/h5-7H,1-4H3;1-6H;;/q;;+1;-1
InChIKeyVEWNOEGBWMWUGM-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.20
Rot. Bonds2

About lithium;benzene;hydride;N-propan-2-ylpropan-2-amine

lithium;benzene;hydride;N-propan-2-ylpropan-2-amine (PubChem CID 174790507) has the molecular formula C12H22LiN and a molecular weight of 187.26 g/mol. Its IUPAC name is lithium;benzene;hydride;N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Namelithium;benzene;hydride;N-propan-2-ylpropan-2-amine
PubChem CID174790507
Molecular FormulaC12H22LiN
Molecular Weight187.26 g/mol
Exact Mass187.19
IUPAC Namelithium;benzene;hydride;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.[H-].[Li+].c1ccccc1
InChIInChI=1S/C6H15N.C6H6.Li.H/c1-5(2)7-6(3)4;1-2-4-6-5-3-1;;/h5-7H,1-4H3;1-6H;;/q;;+1;-1
InChIKeyVEWNOEGBWMWUGM-UHFFFAOYSA-N
XLogP0.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze lithium;benzene;hydride;N-propan-2-ylpropan-2-amine 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

dilithium;magnesium;hydride;N-propan-2-ylpropan-2-amine;trichloride
CID 175311174
lithium;azanide;N-propan-2-ylpropan-2-amine
CID 172803690
CID 87569665
CID 87569665
lithium;sodium;N-propan-2-ylpropan-2-amine;dihydroxide
CID 158295397
acetylene;N-propan-2-ylpropan-2-amine
CID 88622285
hydrazine;N-propan-2-ylpropan-2-amine
CID 157069346
CID 174625889
CID 174625889
ethane;molecular hydrogen;N-propan-2-ylpropan-2-amine
CID 142338134
CID 158686999
CID 158686999
benzene;bis(2-methylpropane)
CID 158864478
N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
CID 22831491
tetrakis(propan-2-ylamino)phosphanium
CID 87251756

Frequently Asked Questions

What is the IUPAC name of lithium;benzene;hydride;N-propan-2-ylpropan-2-amine?
The IUPAC name of lithium;benzene;hydride;N-propan-2-ylpropan-2-amine (CID 174790507) is lithium;benzene;hydride;N-propan-2-ylpropan-2-amine.
What is the SMILES notation for lithium;benzene;hydride;N-propan-2-ylpropan-2-amine?
The canonical SMILES for lithium;benzene;hydride;N-propan-2-ylpropan-2-amine is CC(C)NC(C)C.[H-].[Li+].c1ccccc1.
What is the InChIKey of lithium;benzene;hydride;N-propan-2-ylpropan-2-amine?
The InChIKey is VEWNOEGBWMWUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C6H6.Li.H/c1-5(2)7-6(3)4;1-2-4-6-5-3-1;;/h5-7H,1-4H3;1-6H;;/q;;+1;-1.
What are the key properties of lithium;benzene;hydride;N-propan-2-ylpropan-2-amine?
lithium;benzene;hydride;N-propan-2-ylpropan-2-amine has a molecular weight of 187.26 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;benzene;hydride;N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 174790507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).