CID 67851799

C14H16LiN2 — CID 67851799

IUPAC—
SMILES[Li].c1cc2c3c(c[nH]c3c1)C[C@H]1NCCC[C@H]21
InChIInChI=1S/C14H16N2.Li/c1-3-11-10-4-2-6-15-13(10)7-9-8-16-12(5-1)14(9)11;/h1,3,5,8,10,13,15-16H,2,4,6-7H2;/t10-,13-;/m1./s1
InChIKeyURWAHKQTZSREET-HTMVYDOJSA-N
MW219.24 g/mol
LogP2.18
Rot. Bonds

About CID 67851799

CID 67851799 (PubChem CID 67851799) has the molecular formula C14H16LiN2 and a molecular weight of 219.24 g/mol.

Molecular Properties

Compound NameCID 67851799
PubChem CID67851799
Molecular FormulaC14H16LiN2
Molecular Weight219.24 g/mol
Exact Mass219.15
IUPAC Name—
SMILES[Li].c1cc2c3c(c[nH]c3c1)C[C@H]1NCCC[C@H]21
InChIInChI=1S/C14H16N2.Li/c1-3-11-10-4-2-6-15-13(10)7-9-8-16-12(5-1)14(9)11;/h1,3,5,8,10,13,15-16H,2,4,6-7H2;/t10-,13-;/m1./s1
InChIKeyURWAHKQTZSREET-HTMVYDOJSA-N
XLogP2.18
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 67851799?
The IUPAC name of CID 67851799 (CID 67851799) is not available.
What is the SMILES notation for CID 67851799?
The canonical SMILES for CID 67851799 is [Li].c1cc2c3c(c[nH]c3c1)C[C@H]1NCCC[C@H]21.
What is the InChIKey of CID 67851799?
The InChIKey is URWAHKQTZSREET-HTMVYDOJSA-N. The full InChI is InChI=1S/C14H16N2.Li/c1-3-11-10-4-2-6-15-13(10)7-9-8-16-12(5-1)14(9)11;/h1,3,5,8,10,13,15-16H,2,4,6-7H2;/t10-,13-;/m1./s1.
What are the key properties of CID 67851799?
CID 67851799 has a molecular weight of 219.24 g/mol, XLogP of 2.18, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67851799 is sourced from PubChem (CID 67851799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).