3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pentan-3-amine

C12H26N2O — CID 79814119

IUPAC3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pentan-3-amine
SMILESCCC(N)(CC)CN1CCCOC(C)C1
InChIInChI=1S/C12H26N2O/c1-4-12(13,5-2)10-14-7-6-8-15-11(3)9-14/h11H,4-10,13H2,1-3H3
InChIKeyUYNYYJXUYLEBIR-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds4

About 3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pentan-3-amine

3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pentan-3-amine (PubChem CID 79814119) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pentan-3-amine
PubChem CID79814119
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pentan-3-amine
SMILESCCC(N)(CC)CN1CCCOC(C)C1
InChIInChI=1S/C12H26N2O/c1-4-12(13,5-2)10-14-7-6-8-15-11(3)9-14/h11H,4-10,13H2,1-3H3
InChIKeyUYNYYJXUYLEBIR-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pentan-3-amine?
The IUPAC name of 3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pentan-3-amine (CID 79814119) is 3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pentan-3-amine is CCC(N)(CC)CN1CCCOC(C)C1.
What is the InChIKey of 3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pentan-3-amine?
The InChIKey is UYNYYJXUYLEBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-12(13,5-2)10-14-7-6-8-15-11(3)9-14/h11H,4-10,13H2,1-3H3.
What are the key properties of 3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pentan-3-amine?
3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pentan-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pentan-3-amine is sourced from PubChem (CID 79814119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).