cyclohexane;bis(prop-2-en-1-amine)

C12H26N2 — CID 67816454

IUPACcyclohexane;bis(prop-2-en-1-amine)
SMILESC1CCCCC1.C=CCN.C=CCN
InChIInChI=1S/C6H12.2C3H7N/c1-2-4-6-5-3-1;2*1-2-3-4/h1-6H2;2*2H,1,3-4H2
InChIKeyUCLSJPNKINFJRW-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.60
Rot. Bonds2

About cyclohexane;bis(prop-2-en-1-amine)

cyclohexane;bis(prop-2-en-1-amine) (PubChem CID 67816454) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is cyclohexane;bis(prop-2-en-1-amine).

Molecular Properties

Compound Namecyclohexane;bis(prop-2-en-1-amine)
PubChem CID67816454
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Namecyclohexane;bis(prop-2-en-1-amine)
SMILESC1CCCCC1.C=CCN.C=CCN
InChIInChI=1S/C6H12.2C3H7N/c1-2-4-6-5-3-1;2*1-2-3-4/h1-6H2;2*2H,1,3-4H2
InChIKeyUCLSJPNKINFJRW-UHFFFAOYSA-N
XLogP2.60
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.60
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 cyclohexane;bis(prop-2-en-1-amine)?
The IUPAC name of cyclohexane;bis(prop-2-en-1-amine) (CID 67816454) is cyclohexane;bis(prop-2-en-1-amine).
What is the SMILES notation for cyclohexane;bis(prop-2-en-1-amine)?
The canonical SMILES for cyclohexane;bis(prop-2-en-1-amine) is C1CCCCC1.C=CCN.C=CCN.
What is the InChIKey of cyclohexane;bis(prop-2-en-1-amine)?
The InChIKey is UCLSJPNKINFJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.2C3H7N/c1-2-4-6-5-3-1;2*1-2-3-4/h1-6H2;2*2H,1,3-4H2.
What are the key properties of cyclohexane;bis(prop-2-en-1-amine)?
cyclohexane;bis(prop-2-en-1-amine) has a molecular weight of 198.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;bis(prop-2-en-1-amine) is sourced from PubChem (CID 67816454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).