1-cyclohexyl-2,2-dimethyl-1,4-diazepane

C13H26N2 — CID 82241587

IUPAC1-cyclohexyl-2,2-dimethyl-1,4-diazepane
SMILESCC1(C)CNCCCN1C1CCCCC1
InChIInChI=1S/C13H26N2/c1-13(2)11-14-9-6-10-15(13)12-7-4-3-5-8-12/h12,14H,3-11H2,1-2H3
InChIKeyVDYWQFNJOBVYEV-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.39
Rot. Bonds1

About 1-cyclohexyl-2,2-dimethyl-1,4-diazepane

1-cyclohexyl-2,2-dimethyl-1,4-diazepane (PubChem CID 82241587) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-cyclohexyl-2,2-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name1-cyclohexyl-2,2-dimethyl-1,4-diazepane
PubChem CID82241587
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-cyclohexyl-2,2-dimethyl-1,4-diazepane
SMILESCC1(C)CNCCCN1C1CCCCC1
InChIInChI=1S/C13H26N2/c1-13(2)11-14-9-6-10-15(13)12-7-4-3-5-8-12/h12,14H,3-11H2,1-2H3
InChIKeyVDYWQFNJOBVYEV-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,2-dimethyl-1,4-diazepane?
The IUPAC name of 1-cyclohexyl-2,2-dimethyl-1,4-diazepane (CID 82241587) is 1-cyclohexyl-2,2-dimethyl-1,4-diazepane.
What is the SMILES notation for 1-cyclohexyl-2,2-dimethyl-1,4-diazepane?
The canonical SMILES for 1-cyclohexyl-2,2-dimethyl-1,4-diazepane is CC1(C)CNCCCN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2,2-dimethyl-1,4-diazepane?
The InChIKey is VDYWQFNJOBVYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(2)11-14-9-6-10-15(13)12-7-4-3-5-8-12/h12,14H,3-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-2,2-dimethyl-1,4-diazepane?
1-cyclohexyl-2,2-dimethyl-1,4-diazepane has a molecular weight of 210.36 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,2-dimethyl-1,4-diazepane is sourced from PubChem (CID 82241587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).