[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine

C12H24N2O2 — CID 62974112

IUPAC[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine
SMILESCC1CN(CC2CCC(CN)O2)CCCO1
InChIInChI=1S/C12H24N2O2/c1-10-8-14(5-2-6-15-10)9-12-4-3-11(7-13)16-12/h10-12H,2-9,13H2,1H3
InChIKeyVCGSVGQMLOXIML-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.60
Rot. Bonds3

About [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine

[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine (PubChem CID 62974112) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine
PubChem CID62974112
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine
SMILESCC1CN(CC2CCC(CN)O2)CCCO1
InChIInChI=1S/C12H24N2O2/c1-10-8-14(5-2-6-15-10)9-12-4-3-11(7-13)16-12/h10-12H,2-9,13H2,1H3
InChIKeyVCGSVGQMLOXIML-UHFFFAOYSA-N
XLogP0.60
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine (CID 62974112) is [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine is CC1CN(CC2CCC(CN)O2)CCCO1.
What is the InChIKey of [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine?
The InChIKey is VCGSVGQMLOXIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-8-14(5-2-6-15-10)9-12-4-3-11(7-13)16-12/h10-12H,2-9,13H2,1H3.
What are the key properties of [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine?
[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine has a molecular weight of 228.34 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 62974112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).