1-azabicyclo[3.2.0]heptane;azepane

C12H24N2 — CID 57473310

IUPAC1-azabicyclo[3.2.0]heptane;azepane
SMILESC1CC2CCN2C1.C1CCCNCC1
InChIInChI=1S/C6H11N.C6H13N/c1-2-6-3-5-7(6)4-1;1-2-4-6-7-5-3-1/h6H,1-5H2;7H,1-6H2
InChIKeyBCZQDHBJFWRNPU-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.00
Rot. Bonds

About 1-azabicyclo[3.2.0]heptane;azepane

1-azabicyclo[3.2.0]heptane;azepane (PubChem CID 57473310) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-azabicyclo[3.2.0]heptane;azepane.

Molecular Properties

Compound Name1-azabicyclo[3.2.0]heptane;azepane
PubChem CID57473310
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-azabicyclo[3.2.0]heptane;azepane
SMILESC1CC2CCN2C1.C1CCCNCC1
InChIInChI=1S/C6H11N.C6H13N/c1-2-6-3-5-7(6)4-1;1-2-4-6-7-5-3-1/h6H,1-5H2;7H,1-6H2
InChIKeyBCZQDHBJFWRNPU-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.0]heptane;azepane?
The IUPAC name of 1-azabicyclo[3.2.0]heptane;azepane (CID 57473310) is 1-azabicyclo[3.2.0]heptane;azepane.
What is the SMILES notation for 1-azabicyclo[3.2.0]heptane;azepane?
The canonical SMILES for 1-azabicyclo[3.2.0]heptane;azepane is C1CC2CCN2C1.C1CCCNCC1.
What is the InChIKey of 1-azabicyclo[3.2.0]heptane;azepane?
The InChIKey is BCZQDHBJFWRNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C6H13N/c1-2-6-3-5-7(6)4-1;1-2-4-6-7-5-3-1/h6H,1-5H2;7H,1-6H2.
What are the key properties of 1-azabicyclo[3.2.0]heptane;azepane?
1-azabicyclo[3.2.0]heptane;azepane has a molecular weight of 196.34 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.0]heptane;azepane is sourced from PubChem (CID 57473310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).