2-cycloheptylazepane

C13H25N — CID 19854924

IUPAC2-cycloheptylazepane
SMILESC1CCCC(C2CCCCCN2)CC1
InChIInChI=1S/C13H25N/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-14-13/h12-14H,1-11H2
InChIKeyHREMGZQEPGHZNC-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.49
Rot. Bonds1

About 2-cycloheptylazepane

2-cycloheptylazepane (PubChem CID 19854924) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-cycloheptylazepane.

Molecular Properties

Compound Name2-cycloheptylazepane
PubChem CID19854924
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-cycloheptylazepane
SMILESC1CCCC(C2CCCCCN2)CC1
InChIInChI=1S/C13H25N/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-14-13/h12-14H,1-11H2
InChIKeyHREMGZQEPGHZNC-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylazepane?
The IUPAC name of 2-cycloheptylazepane (CID 19854924) is 2-cycloheptylazepane.
What is the SMILES notation for 2-cycloheptylazepane?
The canonical SMILES for 2-cycloheptylazepane is C1CCCC(C2CCCCCN2)CC1.
What is the InChIKey of 2-cycloheptylazepane?
The InChIKey is HREMGZQEPGHZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-14-13/h12-14H,1-11H2.
What are the key properties of 2-cycloheptylazepane?
2-cycloheptylazepane has a molecular weight of 195.35 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylazepane is sourced from PubChem (CID 19854924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).