lithium N-ethyl-N-(phenylmethyl)ethanamine

C11H16LiN — CID 21399648

IUPAClithium N-ethyl-N-(phenylmethyl)ethanamine
SMILESCCN(CC)Cc1[c-]cccc1.[Li+]
InChIInChI=1S/C11H16N.Li/c1-3-12(4-2)10-11-8-6-5-7-9-11;/h5-8H,3-4,10H2,1-2H3;/q-1;+1
InChIKeySRVNPOPMYVUUGJ-UHFFFAOYSA-N
MW169.20 g/mol
LogP-0.67
Rot. Bonds4

About lithium N-ethyl-N-(phenylmethyl)ethanamine

lithium N-ethyl-N-(phenylmethyl)ethanamine (PubChem CID 21399648) has the molecular formula C11H16LiN and a molecular weight of 169.20 g/mol. Its IUPAC name is lithium N-ethyl-N-(phenylmethyl)ethanamine.

Molecular Properties

Compound Namelithium N-ethyl-N-(phenylmethyl)ethanamine
PubChem CID21399648
Molecular FormulaC11H16LiN
Molecular Weight169.20 g/mol
Exact Mass169.14
IUPAC Namelithium N-ethyl-N-(phenylmethyl)ethanamine
SMILESCCN(CC)Cc1[c-]cccc1.[Li+]
InChIInChI=1S/C11H16N.Li/c1-3-12(4-2)10-11-8-6-5-7-9-11;/h5-8H,3-4,10H2,1-2H3;/q-1;+1
InChIKeySRVNPOPMYVUUGJ-UHFFFAOYSA-N
XLogP-0.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 5-0.67
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 N-ethyl-N-(phenylmethyl)ethanamine?
The IUPAC name of lithium N-ethyl-N-(phenylmethyl)ethanamine (CID 21399648) is lithium N-ethyl-N-(phenylmethyl)ethanamine.
What is the SMILES notation for lithium N-ethyl-N-(phenylmethyl)ethanamine?
The canonical SMILES for lithium N-ethyl-N-(phenylmethyl)ethanamine is CCN(CC)Cc1[c-]cccc1.[Li+].
What is the InChIKey of lithium N-ethyl-N-(phenylmethyl)ethanamine?
The InChIKey is SRVNPOPMYVUUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N.Li/c1-3-12(4-2)10-11-8-6-5-7-9-11;/h5-8H,3-4,10H2,1-2H3;/q-1;+1.
What are the key properties of lithium N-ethyl-N-(phenylmethyl)ethanamine?
lithium N-ethyl-N-(phenylmethyl)ethanamine has a molecular weight of 169.20 g/mol, XLogP of -0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-ethyl-N-(phenylmethyl)ethanamine is sourced from PubChem (CID 21399648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).