1-methyl-4-[2-(methylamino)ethyl]azepan-4-ol

C10H22N2O — CID 83907050

IUPAC1-methyl-4-[2-(methylamino)ethyl]azepan-4-ol
SMILESCNCCC1(O)CCCN(C)CC1
InChIInChI=1S/C10H22N2O/c1-11-7-5-10(13)4-3-8-12(2)9-6-10/h11,13H,3-9H2,1-2H3
InChIKeyLYIQSKKFWALDGY-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.44
Rot. Bonds3

About 1-methyl-4-[2-(methylamino)ethyl]azepan-4-ol

1-methyl-4-[2-(methylamino)ethyl]azepan-4-ol (PubChem CID 83907050) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-methyl-4-[2-(methylamino)ethyl]azepan-4-ol.

Molecular Properties

Compound Name1-methyl-4-[2-(methylamino)ethyl]azepan-4-ol
PubChem CID83907050
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-methyl-4-[2-(methylamino)ethyl]azepan-4-ol
SMILESCNCCC1(O)CCCN(C)CC1
InChIInChI=1S/C10H22N2O/c1-11-7-5-10(13)4-3-8-12(2)9-6-10/h11,13H,3-9H2,1-2H3
InChIKeyLYIQSKKFWALDGY-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(methylamino)ethyl]azepan-4-ol?
The IUPAC name of 1-methyl-4-[2-(methylamino)ethyl]azepan-4-ol (CID 83907050) is 1-methyl-4-[2-(methylamino)ethyl]azepan-4-ol.
What is the SMILES notation for 1-methyl-4-[2-(methylamino)ethyl]azepan-4-ol?
The canonical SMILES for 1-methyl-4-[2-(methylamino)ethyl]azepan-4-ol is CNCCC1(O)CCCN(C)CC1.
What is the InChIKey of 1-methyl-4-[2-(methylamino)ethyl]azepan-4-ol?
The InChIKey is LYIQSKKFWALDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-11-7-5-10(13)4-3-8-12(2)9-6-10/h11,13H,3-9H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(methylamino)ethyl]azepan-4-ol?
1-methyl-4-[2-(methylamino)ethyl]azepan-4-ol has a molecular weight of 186.30 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(methylamino)ethyl]azepan-4-ol is sourced from PubChem (CID 83907050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).