3-cyclopropyl-1-(2-fluoroethyl)-7-methyl-1,4-diazepane

C11H21FN2 — CID 80697016

IUPAC3-cyclopropyl-1-(2-fluoroethyl)-7-methyl-1,4-diazepane
SMILESCC1CCNC(C2CC2)CN1CCF
InChIInChI=1S/C11H21FN2/c1-9-4-6-13-11(10-2-3-10)8-14(9)7-5-12/h9-11,13H,2-8H2,1H3
InChIKeyZSTBCYHCAWOWAD-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.42
Rot. Bonds3

About 3-cyclopropyl-1-(2-fluoroethyl)-7-methyl-1,4-diazepane

3-cyclopropyl-1-(2-fluoroethyl)-7-methyl-1,4-diazepane (PubChem CID 80697016) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-fluoroethyl)-7-methyl-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-fluoroethyl)-7-methyl-1,4-diazepane
PubChem CID80697016
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name3-cyclopropyl-1-(2-fluoroethyl)-7-methyl-1,4-diazepane
SMILESCC1CCNC(C2CC2)CN1CCF
InChIInChI=1S/C11H21FN2/c1-9-4-6-13-11(10-2-3-10)8-14(9)7-5-12/h9-11,13H,2-8H2,1H3
InChIKeyZSTBCYHCAWOWAD-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-1-(2-fluoroethyl)-7-methyl-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 3-cyclopropyl-1-(2-fluoroethyl)-7-methyl-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(2-fluoroethyl)-7-methyl-1,4-diazepane (CID 80697016) is 3-cyclopropyl-1-(2-fluoroethyl)-7-methyl-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(2-fluoroethyl)-7-methyl-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(2-fluoroethyl)-7-methyl-1,4-diazepane is CC1CCNC(C2CC2)CN1CCF.
What is the InChIKey of 3-cyclopropyl-1-(2-fluoroethyl)-7-methyl-1,4-diazepane?
The InChIKey is ZSTBCYHCAWOWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-9-4-6-13-11(10-2-3-10)8-14(9)7-5-12/h9-11,13H,2-8H2,1H3.
What are the key properties of 3-cyclopropyl-1-(2-fluoroethyl)-7-methyl-1,4-diazepane?
3-cyclopropyl-1-(2-fluoroethyl)-7-methyl-1,4-diazepane has a molecular weight of 200.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-fluoroethyl)-7-methyl-1,4-diazepane is sourced from PubChem (CID 80697016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).