1-methyl-3-(methylamino)azepan-4-ol

C8H18N2O — CID 54098194

IUPAC1-methyl-3-(methylamino)azepan-4-ol
SMILESCNC1CN(C)CCCC1O
InChIInChI=1S/C8H18N2O/c1-9-7-6-10(2)5-3-4-8(7)11/h7-9,11H,3-6H2,1-2H3
InChIKeyMYQHXXMDLTXRKQ-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.34
Rot. Bonds1

About 1-methyl-3-(methylamino)azepan-4-ol

1-methyl-3-(methylamino)azepan-4-ol (PubChem CID 54098194) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-methyl-3-(methylamino)azepan-4-ol.

Molecular Properties

Compound Name1-methyl-3-(methylamino)azepan-4-ol
PubChem CID54098194
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name1-methyl-3-(methylamino)azepan-4-ol
SMILESCNC1CN(C)CCCC1O
InChIInChI=1S/C8H18N2O/c1-9-7-6-10(2)5-3-4-8(7)11/h7-9,11H,3-6H2,1-2H3
InChIKeyMYQHXXMDLTXRKQ-UHFFFAOYSA-N
XLogP-0.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(methylamino)azepan-4-ol?
The IUPAC name of 1-methyl-3-(methylamino)azepan-4-ol (CID 54098194) is 1-methyl-3-(methylamino)azepan-4-ol.
What is the SMILES notation for 1-methyl-3-(methylamino)azepan-4-ol?
The canonical SMILES for 1-methyl-3-(methylamino)azepan-4-ol is CNC1CN(C)CCCC1O.
What is the InChIKey of 1-methyl-3-(methylamino)azepan-4-ol?
The InChIKey is MYQHXXMDLTXRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-9-7-6-10(2)5-3-4-8(7)11/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 1-methyl-3-(methylamino)azepan-4-ol?
1-methyl-3-(methylamino)azepan-4-ol has a molecular weight of 158.25 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylamino)azepan-4-ol is sourced from PubChem (CID 54098194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).