2-(2-methyl-1,4-oxazepan-4-yl)-2-(oxan-3-yl)ethanamine

C13H26N2O2 — CID 55242420

IUPAC2-(2-methyl-1,4-oxazepan-4-yl)-2-(oxan-3-yl)ethanamine
SMILESCC1CN(C(CN)C2CCCOC2)CCCO1
InChIInChI=1S/C13H26N2O2/c1-11-9-15(5-3-7-17-11)13(8-14)12-4-2-6-16-10-12/h11-13H,2-10,14H2,1H3
InChIKeyZEWDYOOIDCJCOL-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.85
Rot. Bonds3

About 2-(2-methyl-1,4-oxazepan-4-yl)-2-(oxan-3-yl)ethanamine

2-(2-methyl-1,4-oxazepan-4-yl)-2-(oxan-3-yl)ethanamine (PubChem CID 55242420) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(2-methyl-1,4-oxazepan-4-yl)-2-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-1,4-oxazepan-4-yl)-2-(oxan-3-yl)ethanamine
PubChem CID55242420
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(2-methyl-1,4-oxazepan-4-yl)-2-(oxan-3-yl)ethanamine
SMILESCC1CN(C(CN)C2CCCOC2)CCCO1
InChIInChI=1S/C13H26N2O2/c1-11-9-15(5-3-7-17-11)13(8-14)12-4-2-6-16-10-12/h11-13H,2-10,14H2,1H3
InChIKeyZEWDYOOIDCJCOL-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,4-oxazepan-4-yl)-2-(oxan-3-yl)ethanamine?
The IUPAC name of 2-(2-methyl-1,4-oxazepan-4-yl)-2-(oxan-3-yl)ethanamine (CID 55242420) is 2-(2-methyl-1,4-oxazepan-4-yl)-2-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-1,4-oxazepan-4-yl)-2-(oxan-3-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-1,4-oxazepan-4-yl)-2-(oxan-3-yl)ethanamine is CC1CN(C(CN)C2CCCOC2)CCCO1.
What is the InChIKey of 2-(2-methyl-1,4-oxazepan-4-yl)-2-(oxan-3-yl)ethanamine?
The InChIKey is ZEWDYOOIDCJCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11-9-15(5-3-7-17-11)13(8-14)12-4-2-6-16-10-12/h11-13H,2-10,14H2,1H3.
What are the key properties of 2-(2-methyl-1,4-oxazepan-4-yl)-2-(oxan-3-yl)ethanamine?
2-(2-methyl-1,4-oxazepan-4-yl)-2-(oxan-3-yl)ethanamine has a molecular weight of 242.36 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,4-oxazepan-4-yl)-2-(oxan-3-yl)ethanamine is sourced from PubChem (CID 55242420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).