3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane

C15H30N2O — CID 64943276

IUPAC3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane
SMILESCCC(C)C1CN(CCC2CCCO2)CCCN1
InChIInChI=1S/C15H30N2O/c1-3-13(2)15-12-17(9-5-8-16-15)10-7-14-6-4-11-18-14/h13-16H,3-12H2,1-2H3
InChIKeyWWQGWETVOVRNCY-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds5

About 3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane

3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane (PubChem CID 64943276) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane.

Molecular Properties

Compound Name3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane
PubChem CID64943276
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane
SMILESCCC(C)C1CN(CCC2CCCO2)CCCN1
InChIInChI=1S/C15H30N2O/c1-3-13(2)15-12-17(9-5-8-16-15)10-7-14-6-4-11-18-14/h13-16H,3-12H2,1-2H3
InChIKeyWWQGWETVOVRNCY-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-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

Related Compounds

3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine
CID 65170076
5-butan-2-yl-2-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170235
3-butan-2-yl-1-(3-ethoxypropyl)-1,4-diazepane
CID 64944486
3-butan-2-yl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
CID 64858415
3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine
CID 64942559
1-[2-(oxolan-2-yl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 65162427
3-butan-2-yl-1-(4-methylsulfanylbutyl)-1,4-diazepane
CID 113488328
3-butan-2-yl-1-(4,4,4-trifluorobutyl)-1,4-diazepane
CID 115519153
3-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-1,4-diazepane
CID 103414469
3,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane
CID 64943274
3-butan-2-yl-1-(4-methylpentyl)piperazine
CID 64952597
3-butan-2-yl-1-[(2,2-dimethylcyclopropyl)methyl]-1,4-diazepane
CID 114109476

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane?
The IUPAC name of 3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane (CID 64943276) is 3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane.
What is the SMILES notation for 3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane?
The canonical SMILES for 3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane is CCC(C)C1CN(CCC2CCCO2)CCCN1.
What is the InChIKey of 3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane?
The InChIKey is WWQGWETVOVRNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-13(2)15-12-17(9-5-8-16-15)10-7-14-6-4-11-18-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane?
3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane has a molecular weight of 254.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane is sourced from PubChem (CID 64943276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).