1-(4-methoxyazepan-4-yl)-N,N-dimethylmethanamine

C10H22N2O — CID 84660675

IUPAC1-(4-methoxyazepan-4-yl)-N,N-dimethylmethanamine
SMILESCOC1(CN(C)C)CCCNCC1
InChIInChI=1S/C10H22N2O/c1-12(2)9-10(13-3)5-4-7-11-8-6-10/h11H,4-9H2,1-3H3
InChIKeyWPMQSXDYNJOBDL-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds3

About 1-(4-methoxyazepan-4-yl)-N,N-dimethylmethanamine

1-(4-methoxyazepan-4-yl)-N,N-dimethylmethanamine (PubChem CID 84660675) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(4-methoxyazepan-4-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-methoxyazepan-4-yl)-N,N-dimethylmethanamine
PubChem CID84660675
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-(4-methoxyazepan-4-yl)-N,N-dimethylmethanamine
SMILESCOC1(CN(C)C)CCCNCC1
InChIInChI=1S/C10H22N2O/c1-12(2)9-10(13-3)5-4-7-11-8-6-10/h11H,4-9H2,1-3H3
InChIKeyWPMQSXDYNJOBDL-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyazepan-4-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-methoxyazepan-4-yl)-N,N-dimethylmethanamine (CID 84660675) is 1-(4-methoxyazepan-4-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-methoxyazepan-4-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-methoxyazepan-4-yl)-N,N-dimethylmethanamine is COC1(CN(C)C)CCCNCC1.
What is the InChIKey of 1-(4-methoxyazepan-4-yl)-N,N-dimethylmethanamine?
The InChIKey is WPMQSXDYNJOBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-12(2)9-10(13-3)5-4-7-11-8-6-10/h11H,4-9H2,1-3H3.
What are the key properties of 1-(4-methoxyazepan-4-yl)-N,N-dimethylmethanamine?
1-(4-methoxyazepan-4-yl)-N,N-dimethylmethanamine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyazepan-4-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 84660675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).