lithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine

C14H22LiNO — CID 138968244

IUPAClithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine
SMILESCN(C)Cc1[c-]c(COC(C)(C)C)ccc1.[Li+]
InChIInChI=1S/C14H22NO.Li/c1-14(2,3)16-11-13-8-6-7-12(9-13)10-15(4)5;/h6-8H,10-11H2,1-5H3;/q-1;+1
InChIKeyOKUZGRLNVZKUSA-UHFFFAOYSA-N
MW227.28 g/mol
LogP-0.13
Rot. Bonds4

About lithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine

lithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine (PubChem CID 138968244) has the molecular formula C14H22LiNO and a molecular weight of 227.28 g/mol. Its IUPAC name is lithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine.

Molecular Properties

Compound Namelithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine
PubChem CID138968244
Molecular FormulaC14H22LiNO
Molecular Weight227.28 g/mol
Exact Mass227.19
IUPAC Namelithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine
SMILESCN(C)Cc1[c-]c(COC(C)(C)C)ccc1.[Li+]
InChIInChI=1S/C14H22NO.Li/c1-14(2,3)16-11-13-8-6-7-12(9-13)10-15(4)5;/h6-8H,10-11H2,1-5H3;/q-1;+1
InChIKeyOKUZGRLNVZKUSA-UHFFFAOYSA-N
XLogP-0.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze lithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine with MolForge

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Related Compounds

lithium 1-(3-methoxybenzene-2-id-1-yl)-N,N-dimethylmethanamine
CID 176428131
3-cyclohexa-2,4-dien-1-yloxy-N,N,2-trimethylpropan-1-amine
CID 68312152
5-[(E)-but-1-enyl]-3-(methoxymethyl)-1-methyl-2H-pyridine
CID 70255589
N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine
CID 89122683
6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
CID 130413521
3-[(2Z,4Z)-4-ethylhexa-2,4-dienoxy]-N,N-dimethylpropan-1-amine
CID 141975425
N,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine
CID 142169632
triethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium
CID 142241501
N,N-dimethyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropan-1-amine
CID 142554812
ethane;2-methoxy-1,5-dimethyl-2H-pyridine
CID 143678092
1-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
CID 153808797
1-methyl-3-[(E)-pent-1-enyl]-5-propan-2-yloxy-2H-pyridine
CID 153897026

Frequently Asked Questions

What is the IUPAC name of lithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine?
The IUPAC name of lithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine (CID 138968244) is lithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine.
What is the SMILES notation for lithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine?
The canonical SMILES for lithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine is CN(C)Cc1[c-]c(COC(C)(C)C)ccc1.[Li+].
What is the InChIKey of lithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine?
The InChIKey is OKUZGRLNVZKUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO.Li/c1-14(2,3)16-11-13-8-6-7-12(9-13)10-15(4)5;/h6-8H,10-11H2,1-5H3;/q-1;+1.
What are the key properties of lithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine?
lithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine has a molecular weight of 227.28 g/mol, XLogP of -0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine is sourced from PubChem (CID 138968244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).