3-tert-butyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane

C15H32N2O — CID 65053770

IUPAC3-tert-butyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane
SMILESCOCC(C(C)C)N1CCCNC(C(C)(C)C)C1
InChIInChI=1S/C15H32N2O/c1-12(2)13(11-18-6)17-9-7-8-16-14(10-17)15(3,4)5/h12-14,16H,7-11H2,1-6H3
InChIKeyUDMGSGJKUVARSJ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.37
Rot. Bonds4

About 3-tert-butyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane

3-tert-butyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane (PubChem CID 65053770) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-tert-butyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name3-tert-butyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane
PubChem CID65053770
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-tert-butyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane
SMILESCOCC(C(C)C)N1CCCNC(C(C)(C)C)C1
InChIInChI=1S/C15H32N2O/c1-12(2)13(11-18-6)17-9-7-8-16-14(10-17)15(3,4)5/h12-14,16H,7-11H2,1-6H3
InChIKeyUDMGSGJKUVARSJ-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-1-(1-methoxy-3-methylbutan-2-yl)-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-tert-butyl-1-(1-methoxypropan-2-yl)-1,4-diazepane
CID 64940168
1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,4-diazepane
CID 65053830
3-tert-butyl-1-(4-methoxybutan-2-yl)piperazine
CID 64953254
1-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethyl-1,4-diazepane
CID 65053715
3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane
CID 65053430
3-tert-butyl-1-(2,2,3-trimethylbutyl)-1,4-diazepane
CID 114102135
3-tert-butyl-1-[1-(2-chlorophenyl)ethyl]-1,4-diazepane
CID 64944023
(2R,3S)-1-methoxy-4,4-dimethyl-2-piperidin-1-ylpentan-3-ol
CID 10998787
3-(3-tert-butyl-1,4-diazepan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane
CID 65470541
3-tert-butyl-1-(2-methylpropyl)piperazine
CID 64833220
3-tert-butyl-1-(2-methyl-1-thiophen-2-ylpropyl)piperazine
CID 64952508
1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-3-phenyl-1,4-diazepane
CID 65053659

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane?
The IUPAC name of 3-tert-butyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane (CID 65053770) is 3-tert-butyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane.
What is the SMILES notation for 3-tert-butyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane?
The canonical SMILES for 3-tert-butyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane is COCC(C(C)C)N1CCCNC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane?
The InChIKey is UDMGSGJKUVARSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-12(2)13(11-18-6)17-9-7-8-16-14(10-17)15(3,4)5/h12-14,16H,7-11H2,1-6H3.
What are the key properties of 3-tert-butyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane?
3-tert-butyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane has a molecular weight of 256.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane is sourced from PubChem (CID 65053770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).