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

C15H32N2O — CID 103016742

IUPAC1-(3-methoxy-3-methylbutyl)-7-methyl-3-propyl-1,4-diazepane
SMILESCCCC1CN(CCC(C)(C)OC)C(C)CCN1
InChIInChI=1S/C15H32N2O/c1-6-7-14-12-17(13(2)8-10-16-14)11-9-15(3,4)18-5/h13-14,16H,6-12H2,1-5H3
InChIKeyZBOLWKZYWLVILW-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.65
Rot. Bonds6

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

1-(3-methoxy-3-methylbutyl)-7-methyl-3-propyl-1,4-diazepane (PubChem CID 103016742) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)-7-methyl-3-propyl-1,4-diazepane.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)-7-methyl-3-propyl-1,4-diazepane
PubChem CID103016742
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(3-methoxy-3-methylbutyl)-7-methyl-3-propyl-1,4-diazepane
SMILESCCCC1CN(CCC(C)(C)OC)C(C)CCN1
InChIInChI=1S/C15H32N2O/c1-6-7-14-12-17(13(2)8-10-16-14)11-9-15(3,4)18-5/h13-14,16H,6-12H2,1-5H3
InChIKeyZBOLWKZYWLVILW-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.65
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
N-(4-methoxy-4-methylpentan-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43146979
1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43147232
2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 43751524
3-[4-(3-Methoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 54935596
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
1-(3-Ethoxypropyl)-5-ethyl-1,4-diazepane
CID 61550014
5-Ethyl-1-(3-methoxypropyl)-1,4-diazepane
CID 61550018
5-Ethyl-1-(3-methoxy-2-methylpropyl)-1,4-diazepane
CID 61960730
1-N,1-N-diethyl-2-N-(4-methoxy-4-methylpentan-2-yl)propane-1,2-diamine
CID 61961394
2-(4-ethylazepan-1-yl)-N-(3-methoxypropyl)propan-1-amine
CID 64392122

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)-7-methyl-3-propyl-1,4-diazepane?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)-7-methyl-3-propyl-1,4-diazepane (CID 103016742) is 1-(3-methoxy-3-methylbutyl)-7-methyl-3-propyl-1,4-diazepane.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)-7-methyl-3-propyl-1,4-diazepane?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)-7-methyl-3-propyl-1,4-diazepane is CCCC1CN(CCC(C)(C)OC)C(C)CCN1.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)-7-methyl-3-propyl-1,4-diazepane?
The InChIKey is ZBOLWKZYWLVILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-7-14-12-17(13(2)8-10-16-14)11-9-15(3,4)18-5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 1-(3-methoxy-3-methylbutyl)-7-methyl-3-propyl-1,4-diazepane?
1-(3-methoxy-3-methylbutyl)-7-methyl-3-propyl-1,4-diazepane has a molecular weight of 256.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)-7-methyl-3-propyl-1,4-diazepane is sourced from PubChem (CID 103016742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).