1-cycloheptyl-3,3-dimethyl-1,4-diazepane

C14H28N2 — CID 64944315

IUPAC1-cycloheptyl-3,3-dimethyl-1,4-diazepane
SMILESCC1(C)CN(C2CCCCCC2)CCCN1
InChIInChI=1S/C14H28N2/c1-14(2)12-16(11-7-10-15-14)13-8-5-3-4-6-9-13/h13,15H,3-12H2,1-2H3
InChIKeyQBJYZDCVIBGJOK-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.78
Rot. Bonds1

About 1-cycloheptyl-3,3-dimethyl-1,4-diazepane

1-cycloheptyl-3,3-dimethyl-1,4-diazepane (PubChem CID 64944315) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-cycloheptyl-3,3-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name1-cycloheptyl-3,3-dimethyl-1,4-diazepane
PubChem CID64944315
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-cycloheptyl-3,3-dimethyl-1,4-diazepane
SMILESCC1(C)CN(C2CCCCCC2)CCCN1
InChIInChI=1S/C14H28N2/c1-14(2)12-16(11-7-10-15-14)13-8-5-3-4-6-9-13/h13,15H,3-12H2,1-2H3
InChIKeyQBJYZDCVIBGJOK-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cycloheptyl-3,3-dimethyl-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3,3-dimethyl-1,4-diazepane?
The IUPAC name of 1-cycloheptyl-3,3-dimethyl-1,4-diazepane (CID 64944315) is 1-cycloheptyl-3,3-dimethyl-1,4-diazepane.
What is the SMILES notation for 1-cycloheptyl-3,3-dimethyl-1,4-diazepane?
The canonical SMILES for 1-cycloheptyl-3,3-dimethyl-1,4-diazepane is CC1(C)CN(C2CCCCCC2)CCCN1.
What is the InChIKey of 1-cycloheptyl-3,3-dimethyl-1,4-diazepane?
The InChIKey is QBJYZDCVIBGJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-14(2)12-16(11-7-10-15-14)13-8-5-3-4-6-9-13/h13,15H,3-12H2,1-2H3.
What are the key properties of 1-cycloheptyl-3,3-dimethyl-1,4-diazepane?
1-cycloheptyl-3,3-dimethyl-1,4-diazepane has a molecular weight of 224.39 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3,3-dimethyl-1,4-diazepane is sourced from PubChem (CID 64944315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).