CID 59977351

C14H28NO+ — CID 59977351

IUPAC—
SMILES[CH]CC[N+](C)(CC[CH])CCC(CC)COC
InChIInChI=1S/C14H28NO/c1-6-10-15(4,11-7-2)12-9-14(8-3)13-16-5/h1-2,14H,6-13H2,3-5H3/q+1
InChIKeyOHPCXBPLKFWEEX-UHFFFAOYSA-N
MW226.38 g/mol
LogP2.70
Rot. Bonds10

About CID 59977351

CID 59977351 (PubChem CID 59977351) has the molecular formula C14H28NO+ and a molecular weight of 226.38 g/mol.

Molecular Properties

Compound NameCID 59977351
PubChem CID59977351
Molecular FormulaC14H28NO+
Molecular Weight226.38 g/mol
Exact Mass226.22
IUPAC Name—
SMILES[CH]CC[N+](C)(CC[CH])CCC(CC)COC
InChIInChI=1S/C14H28NO/c1-6-10-15(4,11-7-2)12-9-14(8-3)13-16-5/h1-2,14H,6-13H2,3-5H3/q+1
InChIKeyOHPCXBPLKFWEEX-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59977351?
The IUPAC name of CID 59977351 (CID 59977351) is not available.
What is the SMILES notation for CID 59977351?
The canonical SMILES for CID 59977351 is [CH]CC[N+](C)(CC[CH])CCC(CC)COC.
What is the InChIKey of CID 59977351?
The InChIKey is OHPCXBPLKFWEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28NO/c1-6-10-15(4,11-7-2)12-9-14(8-3)13-16-5/h1-2,14H,6-13H2,3-5H3/q+1.
What are the key properties of CID 59977351?
CID 59977351 has a molecular weight of 226.38 g/mol, XLogP of 2.70, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59977351 is sourced from PubChem (CID 59977351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).