3,3-diethyl-1-(3-methylpentan-3-yl)-1,4-diazepane

C15H32N2 — CID 114174377

IUPAC3,3-diethyl-1-(3-methylpentan-3-yl)-1,4-diazepane
SMILESCCC1(CC)CN(C(C)(CC)CC)CCCN1
InChIInChI=1S/C15H32N2/c1-6-14(5,7-2)17-12-10-11-16-15(8-3,9-4)13-17/h16H,6-13H2,1-5H3
InChIKeyGLKYTNJWFKFNQB-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds5

About 3,3-diethyl-1-(3-methylpentan-3-yl)-1,4-diazepane

3,3-diethyl-1-(3-methylpentan-3-yl)-1,4-diazepane (PubChem CID 114174377) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3,3-diethyl-1-(3-methylpentan-3-yl)-1,4-diazepane.

Molecular Properties

Compound Name3,3-diethyl-1-(3-methylpentan-3-yl)-1,4-diazepane
PubChem CID114174377
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3,3-diethyl-1-(3-methylpentan-3-yl)-1,4-diazepane
SMILESCCC1(CC)CN(C(C)(CC)CC)CCCN1
InChIInChI=1S/C15H32N2/c1-6-14(5,7-2)17-12-10-11-16-15(8-3,9-4)13-17/h16H,6-13H2,1-5H3
InChIKeyGLKYTNJWFKFNQB-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(3-ethylpentan-3-yl)-3-methyl-1,4-diazepane
CID 65043448
1-(2,2-dimethylbutyl)-3,3-diethylpiperazine
CID 103465193
1-(2-tert-butylsulfonylethyl)-3,3-diethyl-1,4-diazepane
CID 106733369
1-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazepane
CID 64870539
3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane
CID 114120464
3,3-diethyl-1-(1-methoxy-3-methylbutan-2-yl)-1,4-diazepane
CID 65053430
3-cyclopropyl-3-methyl-1-(3-methylpentan-3-yl)piperazine
CID 106329737
3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane
CID 64871531
1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane
CID 64951233
3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane
CID 106329845
1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 64944847
3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane
CID 64949999

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(3-methylpentan-3-yl)-1,4-diazepane?
The IUPAC name of 3,3-diethyl-1-(3-methylpentan-3-yl)-1,4-diazepane (CID 114174377) is 3,3-diethyl-1-(3-methylpentan-3-yl)-1,4-diazepane.
What is the SMILES notation for 3,3-diethyl-1-(3-methylpentan-3-yl)-1,4-diazepane?
The canonical SMILES for 3,3-diethyl-1-(3-methylpentan-3-yl)-1,4-diazepane is CCC1(CC)CN(C(C)(CC)CC)CCCN1.
What is the InChIKey of 3,3-diethyl-1-(3-methylpentan-3-yl)-1,4-diazepane?
The InChIKey is GLKYTNJWFKFNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-14(5,7-2)17-12-10-11-16-15(8-3,9-4)13-17/h16H,6-13H2,1-5H3.
What are the key properties of 3,3-diethyl-1-(3-methylpentan-3-yl)-1,4-diazepane?
3,3-diethyl-1-(3-methylpentan-3-yl)-1,4-diazepane has a molecular weight of 240.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(3-methylpentan-3-yl)-1,4-diazepane is sourced from PubChem (CID 114174377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).