1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane

C17H34N2 — CID 64951233

IUPAC1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane
SMILESCCC1(CC)CN(C2CC(C)CC(C)C2)CCCN1
InChIInChI=1S/C17H34N2/c1-5-17(6-2)13-19(9-7-8-18-17)16-11-14(3)10-15(4)12-16/h14-16,18H,5-13H2,1-4H3
InChIKeyWAKDFHOFNGBYEV-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds3

About 1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane

1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane (PubChem CID 64951233) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane
PubChem CID64951233
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane
SMILESCCC1(CC)CN(C2CC(C)CC(C)C2)CCCN1
InChIInChI=1S/C17H34N2/c1-5-17(6-2)13-19(9-7-8-18-17)16-11-14(3)10-15(4)12-16/h14-16,18H,5-13H2,1-4H3
InChIKeyWAKDFHOFNGBYEV-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane (CID 64951233) is 1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane is CCC1(CC)CN(C2CC(C)CC(C)C2)CCCN1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane?
The InChIKey is WAKDFHOFNGBYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-17(6-2)13-19(9-7-8-18-17)16-11-14(3)10-15(4)12-16/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane?
1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane has a molecular weight of 266.47 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane is sourced from PubChem (CID 64951233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).