CID 177410787

C18H21N+ — CID 177410787

IUPAC—
SMILESCC(C)(C)[NH+]/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-18(2,3)19-17(16-12-8-5-9-13-16)14-15-10-6-4-7-11-15/h4-14,19H,1-3H3/q+1/b17-14+
InChIKeyOZNHWHCZQMUFPU-SAPNQHFASA-N
MW251.37 g/mol
LogP3.33
Rot. Bonds3

About CID 177410787

CID 177410787 (PubChem CID 177410787) has the molecular formula C18H21N+ and a molecular weight of 251.37 g/mol.

Molecular Properties

Compound NameCID 177410787
PubChem CID177410787
Molecular FormulaC18H21N+
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name—
SMILESCC(C)(C)[NH+]/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-18(2,3)19-17(16-12-8-5-9-13-16)14-15-10-6-4-7-11-15/h4-14,19H,1-3H3/q+1/b17-14+
InChIKeyOZNHWHCZQMUFPU-SAPNQHFASA-N
XLogP3.33
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 177410787?
The IUPAC name of CID 177410787 (CID 177410787) is not available.
What is the SMILES notation for CID 177410787?
The canonical SMILES for CID 177410787 is CC(C)(C)[NH+]/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of CID 177410787?
The InChIKey is OZNHWHCZQMUFPU-SAPNQHFASA-N. The full InChI is InChI=1S/C18H21N/c1-18(2,3)19-17(16-12-8-5-9-13-16)14-15-10-6-4-7-11-15/h4-14,19H,1-3H3/q+1/b17-14+.
What are the key properties of CID 177410787?
CID 177410787 has a molecular weight of 251.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177410787 is sourced from PubChem (CID 177410787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).