2-(methoxymethyl)-N,1,4-trimethyl-1,4-diazepan-6-amine

C10H23N3O — CID 20705148

IUPAC2-(methoxymethyl)-N,1,4-trimethyl-1,4-diazepan-6-amine
SMILESCNC1CN(C)CC(COC)N(C)C1
InChIInChI=1S/C10H23N3O/c1-11-9-5-12(2)7-10(8-14-4)13(3)6-9/h9-11H,5-8H2,1-4H3
InChIKeyPEPUDKGNQYZGAJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP-0.53
Rot. Bonds3

About 2-(methoxymethyl)-N,1,4-trimethyl-1,4-diazepan-6-amine

2-(methoxymethyl)-N,1,4-trimethyl-1,4-diazepan-6-amine (PubChem CID 20705148) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(methoxymethyl)-N,1,4-trimethyl-1,4-diazepan-6-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N,1,4-trimethyl-1,4-diazepan-6-amine
PubChem CID20705148
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-(methoxymethyl)-N,1,4-trimethyl-1,4-diazepan-6-amine
SMILESCNC1CN(C)CC(COC)N(C)C1
InChIInChI=1S/C10H23N3O/c1-11-9-5-12(2)7-10(8-14-4)13(3)6-9/h9-11H,5-8H2,1-4H3
InChIKeyPEPUDKGNQYZGAJ-UHFFFAOYSA-N
XLogP-0.53
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methoxyethyl)-1,4-diazepane
CID 19019833
1,4-Oxazepine,4-(3-azetidinyl)hexahydro-(9CI)
CID 45088467
2-(1,4-Diazepan-1-yl)propan-1-ol
CID 61050234
4-(Pyrrolidin-3-yl)-1,4-oxazepane
CID 62989035
1-(2-Methoxyethyl)-1,4-diazepane dihydrochloride
CID 138040775
4-Methyl-1,4-oxazepan-6-amine dihydrochloride
CID 165881277
4-Methyl-1,4-oxazepan-6-amine hydrochloride
CID 165889650
2-Methyl-1-(1,4-oxazepan-4-yl)propan-2-amine
CID 62972274
4-Methyl-1,4-oxazepan-6-amine
CID 42609119
2-(1,4-oxazepan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62968309
4,4,4-Trifluoro-3-(1,4-oxazepan-4-yl)butan-2-amine
CID 62986698
5-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazepane
CID 63826723

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N,1,4-trimethyl-1,4-diazepan-6-amine?
The IUPAC name of 2-(methoxymethyl)-N,1,4-trimethyl-1,4-diazepan-6-amine (CID 20705148) is 2-(methoxymethyl)-N,1,4-trimethyl-1,4-diazepan-6-amine.
What is the SMILES notation for 2-(methoxymethyl)-N,1,4-trimethyl-1,4-diazepan-6-amine?
The canonical SMILES for 2-(methoxymethyl)-N,1,4-trimethyl-1,4-diazepan-6-amine is CNC1CN(C)CC(COC)N(C)C1.
What is the InChIKey of 2-(methoxymethyl)-N,1,4-trimethyl-1,4-diazepan-6-amine?
The InChIKey is PEPUDKGNQYZGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-11-9-5-12(2)7-10(8-14-4)13(3)6-9/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-(methoxymethyl)-N,1,4-trimethyl-1,4-diazepan-6-amine?
2-(methoxymethyl)-N,1,4-trimethyl-1,4-diazepan-6-amine has a molecular weight of 201.31 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N,1,4-trimethyl-1,4-diazepan-6-amine is sourced from PubChem (CID 20705148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).