cyclohexanamine;cyclohexene

C12H23N — CID 66728114

IUPACcyclohexanamine;cyclohexene
SMILESC1=CCCCC1.NC1CCCCC1
InChIInChI=1S/C6H13N.C6H10/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h6H,1-5,7H2;1-2H,3-6H2
InChIKeyOKNBFXPVPFDVEN-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.39
Rot. Bonds

About cyclohexanamine;cyclohexene

cyclohexanamine;cyclohexene (PubChem CID 66728114) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is cyclohexanamine;cyclohexene.

Molecular Properties

Compound Namecyclohexanamine;cyclohexene
PubChem CID66728114
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Namecyclohexanamine;cyclohexene
SMILESC1=CCCCC1.NC1CCCCC1
InChIInChI=1S/C6H13N.C6H10/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h6H,1-5,7H2;1-2H,3-6H2
InChIKeyOKNBFXPVPFDVEN-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 cyclohexanamine;cyclohexene?
The IUPAC name of cyclohexanamine;cyclohexene (CID 66728114) is cyclohexanamine;cyclohexene.
What is the SMILES notation for cyclohexanamine;cyclohexene?
The canonical SMILES for cyclohexanamine;cyclohexene is C1=CCCCC1.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;cyclohexene?
The InChIKey is OKNBFXPVPFDVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C6H10/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h6H,1-5,7H2;1-2H,3-6H2.
What are the key properties of cyclohexanamine;cyclohexene?
cyclohexanamine;cyclohexene has a molecular weight of 181.32 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;cyclohexene is sourced from PubChem (CID 66728114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).