6-(methoxymethyl)-2-methyl-1,4-diazepane

C8H18N2O — CID 171505824

IUPAC6-(methoxymethyl)-2-methyl-1,4-diazepane
SMILESCOCC1CNCC(C)NC1
InChIInChI=1S/C8H18N2O/c1-7-3-9-4-8(5-10-7)6-11-2/h7-10H,3-6H2,1-2H3
InChIKeyDSFVKMIXQQUJIO-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.17
Rot. Bonds2

About 6-(methoxymethyl)-2-methyl-1,4-diazepane

6-(methoxymethyl)-2-methyl-1,4-diazepane (PubChem CID 171505824) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-methyl-1,4-diazepane.

Molecular Properties

Compound Name6-(methoxymethyl)-2-methyl-1,4-diazepane
PubChem CID171505824
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name6-(methoxymethyl)-2-methyl-1,4-diazepane
SMILESCOCC1CNCC(C)NC1
InChIInChI=1S/C8H18N2O/c1-7-3-9-4-8(5-10-7)6-11-2/h7-10H,3-6H2,1-2H3
InChIKeyDSFVKMIXQQUJIO-UHFFFAOYSA-N
XLogP-0.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methoxypropyl)-6-(trifluoromethyl)-1,4-diazepane
CID 103371912
1-(3-Methoxy-2-methylpropyl)-6-(trifluoromethyl)-1,4-diazepane
CID 113808357
1-(4-Methoxybutan-2-yl)-6-(trifluoromethyl)-1,4-diazepane
CID 113808368
1-(3-Methoxypropyl)-2-(trifluoromethyl)-1,4-diazepane
CID 115101624
2-(methoxymethyl)-N,1,4-trimethyl-1,4-diazepan-6-amine
CID 20705148
N-(3-methoxypropyl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 22075512
3-(2-Methoxyethyl)-1-methyl-1,4-diazepane
CID 23090165
2-(Methoxymethyl)-1-methyl-1,4-diazepane
CID 23090243
2-(Methoxymethyl)-1,4-diazepane
CID 23090287
6-(2-Methoxyethyl)-1,4-diazepane
CID 23090356
2-(2-Methoxyethyl)-1,4-diazepane
CID 23090487
3-(Methoxymethyl)-1-methyl-1,4-diazepane
CID 23090505

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-methyl-1,4-diazepane?
The IUPAC name of 6-(methoxymethyl)-2-methyl-1,4-diazepane (CID 171505824) is 6-(methoxymethyl)-2-methyl-1,4-diazepane.
What is the SMILES notation for 6-(methoxymethyl)-2-methyl-1,4-diazepane?
The canonical SMILES for 6-(methoxymethyl)-2-methyl-1,4-diazepane is COCC1CNCC(C)NC1.
What is the InChIKey of 6-(methoxymethyl)-2-methyl-1,4-diazepane?
The InChIKey is DSFVKMIXQQUJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7-3-9-4-8(5-10-7)6-11-2/h7-10H,3-6H2,1-2H3.
What are the key properties of 6-(methoxymethyl)-2-methyl-1,4-diazepane?
6-(methoxymethyl)-2-methyl-1,4-diazepane has a molecular weight of 158.25 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-methyl-1,4-diazepane is sourced from PubChem (CID 171505824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).