[1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine

C13H26N2O — CID 81170479

IUPAC[1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine
SMILESCC1CN(CCC2(CN)CCC2)CCCO1
InChIInChI=1S/C13H26N2O/c1-12-10-15(7-3-9-16-12)8-6-13(11-14)4-2-5-13/h12H,2-11,14H2,1H3
InChIKeyIFSYPECDKSFOIM-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.62
Rot. Bonds4

About [1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine

[1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine (PubChem CID 81170479) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine
PubChem CID81170479
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine
SMILESCC1CN(CCC2(CN)CCC2)CCCO1
InChIInChI=1S/C13H26N2O/c1-12-10-15(7-3-9-16-12)8-6-13(11-14)4-2-5-13/h12H,2-11,14H2,1H3
InChIKeyIFSYPECDKSFOIM-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine (CID 81170479) is [1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine is CC1CN(CCC2(CN)CCC2)CCCO1.
What is the InChIKey of [1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine?
The InChIKey is IFSYPECDKSFOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12-10-15(7-3-9-16-12)8-6-13(11-14)4-2-5-13/h12H,2-11,14H2,1H3.
What are the key properties of [1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine?
[1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine is sourced from PubChem (CID 81170479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).