3,3-diethyl-1-(3-methoxy-3-methylbutyl)-7-methyl-1,4-diazepane

C16H34N2O — CID 103016763

IUPAC3,3-diethyl-1-(3-methoxy-3-methylbutyl)-7-methyl-1,4-diazepane
SMILESCCC1(CC)CN(CCC(C)(C)OC)C(C)CCN1
InChIInChI=1S/C16H34N2O/c1-7-16(8-2)13-18(14(3)9-11-17-16)12-10-15(4,5)19-6/h14,17H,7-13H2,1-6H3
InChIKeyOMOXKUWXVNZZJY-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.04
Rot. Bonds6

About 3,3-diethyl-1-(3-methoxy-3-methylbutyl)-7-methyl-1,4-diazepane

3,3-diethyl-1-(3-methoxy-3-methylbutyl)-7-methyl-1,4-diazepane (PubChem CID 103016763) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 3,3-diethyl-1-(3-methoxy-3-methylbutyl)-7-methyl-1,4-diazepane.

Molecular Properties

Compound Name3,3-diethyl-1-(3-methoxy-3-methylbutyl)-7-methyl-1,4-diazepane
PubChem CID103016763
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name3,3-diethyl-1-(3-methoxy-3-methylbutyl)-7-methyl-1,4-diazepane
SMILESCCC1(CC)CN(CCC(C)(C)OC)C(C)CCN1
InChIInChI=1S/C16H34N2O/c1-7-16(8-2)13-18(14(3)9-11-17-16)12-10-15(4,5)19-6/h14,17H,7-13H2,1-6H3
InChIKeyOMOXKUWXVNZZJY-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-amino-4-methoxy-4-methylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine;ethane
CID 142367475
1-(4-Methoxy-4-methylpentan-2-yl)-1,4-diazepane
CID 61058092
N-[2-(azepan-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 61240765
3-Butan-2-yl-1-(3-methoxypropyl)-1,4-diazepane
CID 64858219
3,3-Diethyl-1-(3-methoxypropyl)-1,4-diazepane
CID 64870538
3-Butan-2-yl-1-(3-methoxypropyl)-7-methyl-1,4-diazepane
CID 64870750
3-Ethyl-1-(3-methoxypropyl)-3,7-dimethyl-1,4-diazepane
CID 64870852
3,3-Diethyl-1-(3-methoxypropyl)-7-methyl-1,4-diazepane
CID 64871811
1-(3-Ethoxypropyl)-3,3-diethyl-1,4-diazepane
CID 64945283
3,3-Diethyl-1-(3-methoxy-2-methylpropyl)-1,4-diazepane
CID 64949360
3,3-Diethyl-1-(4-methoxybutan-2-yl)-1,4-diazepane
CID 64950240
3-Butan-2-yl-1-(3-methoxy-2-methylpropyl)-1,4-diazepane
CID 64951725

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(3-methoxy-3-methylbutyl)-7-methyl-1,4-diazepane?
The IUPAC name of 3,3-diethyl-1-(3-methoxy-3-methylbutyl)-7-methyl-1,4-diazepane (CID 103016763) is 3,3-diethyl-1-(3-methoxy-3-methylbutyl)-7-methyl-1,4-diazepane.
What is the SMILES notation for 3,3-diethyl-1-(3-methoxy-3-methylbutyl)-7-methyl-1,4-diazepane?
The canonical SMILES for 3,3-diethyl-1-(3-methoxy-3-methylbutyl)-7-methyl-1,4-diazepane is CCC1(CC)CN(CCC(C)(C)OC)C(C)CCN1.
What is the InChIKey of 3,3-diethyl-1-(3-methoxy-3-methylbutyl)-7-methyl-1,4-diazepane?
The InChIKey is OMOXKUWXVNZZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-7-16(8-2)13-18(14(3)9-11-17-16)12-10-15(4,5)19-6/h14,17H,7-13H2,1-6H3.
What are the key properties of 3,3-diethyl-1-(3-methoxy-3-methylbutyl)-7-methyl-1,4-diazepane?
3,3-diethyl-1-(3-methoxy-3-methylbutyl)-7-methyl-1,4-diazepane has a molecular weight of 270.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(3-methoxy-3-methylbutyl)-7-methyl-1,4-diazepane is sourced from PubChem (CID 103016763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).