2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine

C12H26N2O2 — CID 63070656

IUPAC2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
SMILESCCOC(CN)CCN1CCCOC(C)C1
InChIInChI=1S/C12H26N2O2/c1-3-15-12(9-13)5-7-14-6-4-8-16-11(2)10-14/h11-12H,3-10,13H2,1-2H3
InChIKeyZLEXCOIBYDDHIL-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.85
Rot. Bonds6

About 2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine

2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine (PubChem CID 63070656) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
PubChem CID63070656
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
SMILESCCOC(CN)CCN1CCCOC(C)C1
InChIInChI=1S/C12H26N2O2/c1-3-15-12(9-13)5-7-14-6-4-8-16-11(2)10-14/h11-12H,3-10,13H2,1-2H3
InChIKeyZLEXCOIBYDDHIL-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine
CID 63072558
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
ethyl 2-(methylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 55145486
6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine
CID 62986916
6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine
CID 106799763
2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine
CID 63069699
2-ethoxy-4-(2-methylpiperidin-1-yl)butan-1-amine
CID 63069690
2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 63070059
[1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine
CID 81170479
4-(9-bromononyl)-2-methyl-1,4-oxazepane
CID 105343753
3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propanenitrile
CID 94906828
1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol
CID 81097296

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine (CID 63070656) is 2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine is CCOC(CN)CCN1CCCOC(C)C1.
What is the InChIKey of 2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine?
The InChIKey is ZLEXCOIBYDDHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-15-12(9-13)5-7-14-6-4-8-16-11(2)10-14/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine?
2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine is sourced from PubChem (CID 63070656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).