cycloheptanimine

C7H13N — CID 21480160

IUPACcycloheptanimine
SMILES[H]N=C1CCCCCC1
InChIInChI=1S/C7H13N/c8-7-5-3-1-2-4-6-7/h8H,1-6H2
InChIKeyZHTKDKKSYFXWQH-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.36
Rot. Bonds

About cycloheptanimine

cycloheptanimine (PubChem CID 21480160) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is cycloheptanimine.

Molecular Properties

Compound Namecycloheptanimine
PubChem CID21480160
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Namecycloheptanimine
SMILES[H]N=C1CCCCCC1
InChIInChI=1S/C7H13N/c8-7-5-3-1-2-4-6-7/h8H,1-6H2
InChIKeyZHTKDKKSYFXWQH-UHFFFAOYSA-N
XLogP2.36
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cycloheptanimine?
The IUPAC name of cycloheptanimine (CID 21480160) is cycloheptanimine.
What is the SMILES notation for cycloheptanimine?
The canonical SMILES for cycloheptanimine is [H]N=C1CCCCCC1.
What is the InChIKey of cycloheptanimine?
The InChIKey is ZHTKDKKSYFXWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c8-7-5-3-1-2-4-6-7/h8H,1-6H2.
What are the key properties of cycloheptanimine?
cycloheptanimine has a molecular weight of 111.19 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptanimine is sourced from PubChem (CID 21480160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).