lithium N-(phenylmethyl)-N-propylpropan-1-amine

C13H20LiN — CID 21399633

IUPAClithium N-(phenylmethyl)-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1[c-]cccc1.[Li+]
InChIInChI=1S/C13H20N.Li/c1-3-10-14(11-4-2)12-13-8-6-5-7-9-13;/h5-8H,3-4,10-12H2,1-2H3;/q-1;+1
InChIKeyLEYDLBQEUCKQRZ-UHFFFAOYSA-N
MW197.25 g/mol
LogP0.11
Rot. Bonds6

About lithium N-(phenylmethyl)-N-propylpropan-1-amine

lithium N-(phenylmethyl)-N-propylpropan-1-amine (PubChem CID 21399633) has the molecular formula C13H20LiN and a molecular weight of 197.25 g/mol. Its IUPAC name is lithium N-(phenylmethyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Namelithium N-(phenylmethyl)-N-propylpropan-1-amine
PubChem CID21399633
Molecular FormulaC13H20LiN
Molecular Weight197.25 g/mol
Exact Mass197.18
IUPAC Namelithium N-(phenylmethyl)-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1[c-]cccc1.[Li+]
InChIInChI=1S/C13H20N.Li/c1-3-10-14(11-4-2)12-13-8-6-5-7-9-13;/h5-8H,3-4,10-12H2,1-2H3;/q-1;+1
InChIKeyLEYDLBQEUCKQRZ-UHFFFAOYSA-N
XLogP0.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 50.11
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-(phenylmethyl)-N-propylpropan-1-amine?
The IUPAC name of lithium N-(phenylmethyl)-N-propylpropan-1-amine (CID 21399633) is lithium N-(phenylmethyl)-N-propylpropan-1-amine.
What is the SMILES notation for lithium N-(phenylmethyl)-N-propylpropan-1-amine?
The canonical SMILES for lithium N-(phenylmethyl)-N-propylpropan-1-amine is CCCN(CCC)Cc1[c-]cccc1.[Li+].
What is the InChIKey of lithium N-(phenylmethyl)-N-propylpropan-1-amine?
The InChIKey is LEYDLBQEUCKQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N.Li/c1-3-10-14(11-4-2)12-13-8-6-5-7-9-13;/h5-8H,3-4,10-12H2,1-2H3;/q-1;+1.
What are the key properties of lithium N-(phenylmethyl)-N-propylpropan-1-amine?
lithium N-(phenylmethyl)-N-propylpropan-1-amine has a molecular weight of 197.25 g/mol, XLogP of 0.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-(phenylmethyl)-N-propylpropan-1-amine is sourced from PubChem (CID 21399633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).