CID 58921818

C19H28NOP+ — CID 58921818

IUPAC—
SMILES[CH2][P+](C)(c1ccccc1)C1CCCC1C1=N[C@@H](C(C)C)CO1
InChIInChI=1S/C19H28NOP/c1-14(2)17-13-21-19(20-17)16-11-8-12-18(16)22(3,4)15-9-6-5-7-10-15/h5-7,9-10,14,16-18H,3,8,11-13H2,1-2,4H3/q+1/t16?,17-,18?,22?/m1/s1
InChIKeyHPLTXFNYUVEVHA-OTNBPJNFSA-N
MW317.41 g/mol
LogP4.37
Rot. Bonds4

About CID 58921818

CID 58921818 (PubChem CID 58921818) has the molecular formula C19H28NOP+ and a molecular weight of 317.41 g/mol.

Molecular Properties

Compound NameCID 58921818
PubChem CID58921818
Molecular FormulaC19H28NOP+
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name—
SMILES[CH2][P+](C)(c1ccccc1)C1CCCC1C1=N[C@@H](C(C)C)CO1
InChIInChI=1S/C19H28NOP/c1-14(2)17-13-21-19(20-17)16-11-8-12-18(16)22(3,4)15-9-6-5-7-10-15/h5-7,9-10,14,16-18H,3,8,11-13H2,1-2,4H3/q+1/t16?,17-,18?,22?/m1/s1
InChIKeyHPLTXFNYUVEVHA-OTNBPJNFSA-N
XLogP4.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58921818?
The IUPAC name of CID 58921818 (CID 58921818) is not available.
What is the SMILES notation for CID 58921818?
The canonical SMILES for CID 58921818 is [CH2][P+](C)(c1ccccc1)C1CCCC1C1=N[C@@H](C(C)C)CO1.
What is the InChIKey of CID 58921818?
The InChIKey is HPLTXFNYUVEVHA-OTNBPJNFSA-N. The full InChI is InChI=1S/C19H28NOP/c1-14(2)17-13-21-19(20-17)16-11-8-12-18(16)22(3,4)15-9-6-5-7-10-15/h5-7,9-10,14,16-18H,3,8,11-13H2,1-2,4H3/q+1/t16?,17-,18?,22?/m1/s1.
What are the key properties of CID 58921818?
CID 58921818 has a molecular weight of 317.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58921818 is sourced from PubChem (CID 58921818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).