cycloundecanimine

C11H21N — CID 123912975

IUPACcycloundecanimine
SMILES[H]N=C1CCCCCCCCCC1
InChIInChI=1S/C11H21N/c12-11-9-7-5-3-1-2-4-6-8-10-11/h12H,1-10H2
InChIKeyZDEDLBLZKPBLOF-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.92
Rot. Bonds

About cycloundecanimine

cycloundecanimine (PubChem CID 123912975) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is cycloundecanimine.

Molecular Properties

Compound Namecycloundecanimine
PubChem CID123912975
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Namecycloundecanimine
SMILES[H]N=C1CCCCCCCCCC1
InChIInChI=1S/C11H21N/c12-11-9-7-5-3-1-2-4-6-8-10-11/h12H,1-10H2
InChIKeyZDEDLBLZKPBLOF-UHFFFAOYSA-N
XLogP3.92
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 89062858
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CID 67428267
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CID 13294349
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CID 159842804
CID 159842804

Frequently Asked Questions

What is the IUPAC name of cycloundecanimine?
The IUPAC name of cycloundecanimine (CID 123912975) is cycloundecanimine.
What is the SMILES notation for cycloundecanimine?
The canonical SMILES for cycloundecanimine is [H]N=C1CCCCCCCCCC1.
What is the InChIKey of cycloundecanimine?
The InChIKey is ZDEDLBLZKPBLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c12-11-9-7-5-3-1-2-4-6-8-10-11/h12H,1-10H2.
What are the key properties of cycloundecanimine?
cycloundecanimine has a molecular weight of 167.30 g/mol, XLogP of 3.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloundecanimine is sourced from PubChem (CID 123912975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).