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

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

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Related Compounds

4-[2-(bromomethyl)-2-propylpentyl]-2-methyl-1,4-oxazepane
CID 65005180
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine
CID 62974788
(2R)-2-methyl-4-[4-[(2R)-2-methyl-1,4-oxazepan-4-yl]but-2-ynyl]-1,4-oxazepane
CID 124852526
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
3-(aminomethyl)-6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-ol
CID 106811332
2-amino-2-ethyl-5-(2-methylmorpholin-4-yl)pentan-1-ol
CID 106809098
1,3-bis[(2S)-2-methyl-1,4-oxazepan-4-yl]propan-2-ol
CID 124829213
6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine
CID 106799763
2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
CID 62988989
(2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol
CID 130161382
1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride
CID 120849628
4-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
CID 62974601

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).