5-cycloheptyl-1,4-diazepane

C12H24N2 — CID 67270426

IUPAC5-cycloheptyl-1,4-diazepane
SMILESC1CCCC(C2CCNCCN2)CC1
InChIInChI=1S/C12H24N2/c1-2-4-6-11(5-3-1)12-7-8-13-9-10-14-12/h11-14H,1-10H2
InChIKeyWJWNYPADNFOIPT-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.91
Rot. Bonds1

About 5-cycloheptyl-1,4-diazepane

5-cycloheptyl-1,4-diazepane (PubChem CID 67270426) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 5-cycloheptyl-1,4-diazepane.

Molecular Properties

Compound Name5-cycloheptyl-1,4-diazepane
PubChem CID67270426
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name5-cycloheptyl-1,4-diazepane
SMILESC1CCCC(C2CCNCCN2)CC1
InChIInChI=1S/C12H24N2/c1-2-4-6-11(5-3-1)12-7-8-13-9-10-14-12/h11-14H,1-10H2
InChIKeyWJWNYPADNFOIPT-UHFFFAOYSA-N
XLogP1.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-1,4-diazepane?
The IUPAC name of 5-cycloheptyl-1,4-diazepane (CID 67270426) is 5-cycloheptyl-1,4-diazepane.
What is the SMILES notation for 5-cycloheptyl-1,4-diazepane?
The canonical SMILES for 5-cycloheptyl-1,4-diazepane is C1CCCC(C2CCNCCN2)CC1.
What is the InChIKey of 5-cycloheptyl-1,4-diazepane?
The InChIKey is WJWNYPADNFOIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-4-6-11(5-3-1)12-7-8-13-9-10-14-12/h11-14H,1-10H2.
What are the key properties of 5-cycloheptyl-1,4-diazepane?
5-cycloheptyl-1,4-diazepane has a molecular weight of 196.34 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-1,4-diazepane is sourced from PubChem (CID 67270426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).