3-cyclopropyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane

C13H26N2O — CID 64870920

IUPAC3-cyclopropyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane
SMILESCC(C)OCCN1CCCNC(C2CC2)C1
InChIInChI=1S/C13H26N2O/c1-11(2)16-9-8-15-7-3-6-14-13(10-15)12-4-5-12/h11-14H,3-10H2,1-2H3
InChIKeyVYVXQNVENBQXOT-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds5

About 3-cyclopropyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane

3-cyclopropyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane (PubChem CID 64870920) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane
PubChem CID64870920
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-cyclopropyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane
SMILESCC(C)OCCN1CCCNC(C2CC2)C1
InChIInChI=1S/C13H26N2O/c1-11(2)16-9-8-15-7-3-6-14-13(10-15)12-4-5-12/h11-14H,3-10H2,1-2H3
InChIKeyVYVXQNVENBQXOT-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-1-(2-propan-2-yloxyethyl)-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-propan-2-yloxyethyl)-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane (CID 64870920) is 3-cyclopropyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane is CC(C)OCCN1CCCNC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane?
The InChIKey is VYVXQNVENBQXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)16-9-8-15-7-3-6-14-13(10-15)12-4-5-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane?
3-cyclopropyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane has a molecular weight of 226.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane is sourced from PubChem (CID 64870920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).