CID 16754484

C14H22NO — CID 16754484

IUPAC—
SMILESC=CC[C@H](N[C@H](CO)C(C)C)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C14H22NO/c1-4-7-13(12-8-5-6-9-12)15-14(10-16)11(2)3/h4-6,8-9,11,13-16H,1,7,10H2,2-3H3/t13-,14+/m0/s1
InChIKeyZIUANDHRRZHIAQ-UONOGXRCSA-N
MW220.34 g/mol
LogP1.94
Rot. Bonds7

About CID 16754484

CID 16754484 (PubChem CID 16754484) has the molecular formula C14H22NO and a molecular weight of 220.34 g/mol.

Molecular Properties

Compound NameCID 16754484
PubChem CID16754484
Molecular FormulaC14H22NO
Molecular Weight220.34 g/mol
Exact Mass220.17
IUPAC Name—
SMILESC=CC[C@H](N[C@H](CO)C(C)C)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C14H22NO/c1-4-7-13(12-8-5-6-9-12)15-14(10-16)11(2)3/h4-6,8-9,11,13-16H,1,7,10H2,2-3H3/t13-,14+/m0/s1
InChIKeyZIUANDHRRZHIAQ-UONOGXRCSA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 16754484?
The IUPAC name of CID 16754484 (CID 16754484) is not available.
What is the SMILES notation for CID 16754484?
The canonical SMILES for CID 16754484 is C=CC[C@H](N[C@H](CO)C(C)C)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 16754484?
The InChIKey is ZIUANDHRRZHIAQ-UONOGXRCSA-N. The full InChI is InChI=1S/C14H22NO/c1-4-7-13(12-8-5-6-9-12)15-14(10-16)11(2)3/h4-6,8-9,11,13-16H,1,7,10H2,2-3H3/t13-,14+/m0/s1.
What are the key properties of CID 16754484?
CID 16754484 has a molecular weight of 220.34 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16754484 is sourced from PubChem (CID 16754484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).