6-(1-methoxyethyl)-4-methyl-1,4-diazepan-2-amine

C9H21N3O — CID 166846738

IUPAC6-(1-methoxyethyl)-4-methyl-1,4-diazepan-2-amine
SMILESCOC(C)C1CNC(N)CN(C)C1
InChIInChI=1S/C9H21N3O/c1-7(13-3)8-4-11-9(10)6-12(2)5-8/h7-9,11H,4-6,10H2,1-3H3
InChIKeyUUQKIRVEBPBNQY-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.54
Rot. Bonds2

About 6-(1-methoxyethyl)-4-methyl-1,4-diazepan-2-amine

6-(1-methoxyethyl)-4-methyl-1,4-diazepan-2-amine (PubChem CID 166846738) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 6-(1-methoxyethyl)-4-methyl-1,4-diazepan-2-amine.

Molecular Properties

Compound Name6-(1-methoxyethyl)-4-methyl-1,4-diazepan-2-amine
PubChem CID166846738
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name6-(1-methoxyethyl)-4-methyl-1,4-diazepan-2-amine
SMILESCOC(C)C1CNC(N)CN(C)C1
InChIInChI=1S/C9H21N3O/c1-7(13-3)8-4-11-9(10)6-12(2)5-8/h7-9,11H,4-6,10H2,1-3H3
InChIKeyUUQKIRVEBPBNQY-UHFFFAOYSA-N
XLogP-0.54
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxyethyl)-4-methyl-1,4-diazepan-2-amine?
The IUPAC name of 6-(1-methoxyethyl)-4-methyl-1,4-diazepan-2-amine (CID 166846738) is 6-(1-methoxyethyl)-4-methyl-1,4-diazepan-2-amine.
What is the SMILES notation for 6-(1-methoxyethyl)-4-methyl-1,4-diazepan-2-amine?
The canonical SMILES for 6-(1-methoxyethyl)-4-methyl-1,4-diazepan-2-amine is COC(C)C1CNC(N)CN(C)C1.
What is the InChIKey of 6-(1-methoxyethyl)-4-methyl-1,4-diazepan-2-amine?
The InChIKey is UUQKIRVEBPBNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-7(13-3)8-4-11-9(10)6-12(2)5-8/h7-9,11H,4-6,10H2,1-3H3.
What are the key properties of 6-(1-methoxyethyl)-4-methyl-1,4-diazepan-2-amine?
6-(1-methoxyethyl)-4-methyl-1,4-diazepan-2-amine has a molecular weight of 187.29 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxyethyl)-4-methyl-1,4-diazepan-2-amine is sourced from PubChem (CID 166846738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).