CID 58921857

C12H26NP+ — CID 58921857

IUPAC—
SMILES[CH2][P+](C)(C)C1CCCC1[C@@H](C)N(C)C
InChIInChI=1S/C12H26NP/c1-10(13(2)3)11-8-7-9-12(11)14(4,5)6/h10-12H,4,7-9H2,1-3,5-6H3/q+1/t10-,11?,12?/m1/s1
InChIKeyIGHIKOGMLOULNL-VOMCLLRMSA-N
MW215.32 g/mol
LogP3.17
Rot. Bonds3

About CID 58921857

CID 58921857 (PubChem CID 58921857) has the molecular formula C12H26NP+ and a molecular weight of 215.32 g/mol.

Molecular Properties

Compound NameCID 58921857
PubChem CID58921857
Molecular FormulaC12H26NP+
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC Name—
SMILES[CH2][P+](C)(C)C1CCCC1[C@@H](C)N(C)C
InChIInChI=1S/C12H26NP/c1-10(13(2)3)11-8-7-9-12(11)14(4,5)6/h10-12H,4,7-9H2,1-3,5-6H3/q+1/t10-,11?,12?/m1/s1
InChIKeyIGHIKOGMLOULNL-VOMCLLRMSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 58921857?
The IUPAC name of CID 58921857 (CID 58921857) is not available.
What is the SMILES notation for CID 58921857?
The canonical SMILES for CID 58921857 is [CH2][P+](C)(C)C1CCCC1[C@@H](C)N(C)C.
What is the InChIKey of CID 58921857?
The InChIKey is IGHIKOGMLOULNL-VOMCLLRMSA-N. The full InChI is InChI=1S/C12H26NP/c1-10(13(2)3)11-8-7-9-12(11)14(4,5)6/h10-12H,4,7-9H2,1-3,5-6H3/q+1/t10-,11?,12?/m1/s1.
What are the key properties of CID 58921857?
CID 58921857 has a molecular weight of 215.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58921857 is sourced from PubChem (CID 58921857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).