lithium (1R)-N,N-dimethyl-1-phenylpropan-1-amine

C11H16LiN — CID 134971008

IUPAClithium (1R)-N,N-dimethyl-1-phenylpropan-1-amine
SMILESCC[C@H](c1[c-]cccc1)N(C)C.[Li+]
InChIInChI=1S/C11H16N.Li/c1-4-11(12(2)3)10-8-6-5-7-9-10;/h5-8,11H,4H2,1-3H3;/q-1;+1/t11-;/m1./s1
InChIKeyNIVRGXDFMJEIRB-RFVHGSKJSA-N
MW169.20 g/mol
LogP-0.50
Rot. Bonds3

About lithium (1R)-N,N-dimethyl-1-phenylpropan-1-amine

lithium (1R)-N,N-dimethyl-1-phenylpropan-1-amine (PubChem CID 134971008) has the molecular formula C11H16LiN and a molecular weight of 169.20 g/mol. Its IUPAC name is lithium (1R)-N,N-dimethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Namelithium (1R)-N,N-dimethyl-1-phenylpropan-1-amine
PubChem CID134971008
Molecular FormulaC11H16LiN
Molecular Weight169.20 g/mol
Exact Mass169.14
IUPAC Namelithium (1R)-N,N-dimethyl-1-phenylpropan-1-amine
SMILESCC[C@H](c1[c-]cccc1)N(C)C.[Li+]
InChIInChI=1S/C11H16N.Li/c1-4-11(12(2)3)10-8-6-5-7-9-10;/h5-8,11H,4H2,1-3H3;/q-1;+1/t11-;/m1./s1
InChIKeyNIVRGXDFMJEIRB-RFVHGSKJSA-N
XLogP-0.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium (1R)-N,N-dimethyl-1-phenylpropan-1-amine?
The IUPAC name of lithium (1R)-N,N-dimethyl-1-phenylpropan-1-amine (CID 134971008) is lithium (1R)-N,N-dimethyl-1-phenylpropan-1-amine.
What is the SMILES notation for lithium (1R)-N,N-dimethyl-1-phenylpropan-1-amine?
The canonical SMILES for lithium (1R)-N,N-dimethyl-1-phenylpropan-1-amine is CC[C@H](c1[c-]cccc1)N(C)C.[Li+].
What is the InChIKey of lithium (1R)-N,N-dimethyl-1-phenylpropan-1-amine?
The InChIKey is NIVRGXDFMJEIRB-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H16N.Li/c1-4-11(12(2)3)10-8-6-5-7-9-10;/h5-8,11H,4H2,1-3H3;/q-1;+1/t11-;/m1./s1.
What are the key properties of lithium (1R)-N,N-dimethyl-1-phenylpropan-1-amine?
lithium (1R)-N,N-dimethyl-1-phenylpropan-1-amine has a molecular weight of 169.20 g/mol, XLogP of -0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (1R)-N,N-dimethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 134971008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).