6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine

C12H26N2O — CID 62986916

IUPAC6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine
SMILESCC(N)CCCCN1CCCOC(C)C1
InChIInChI=1S/C12H26N2O/c1-11(13)6-3-4-7-14-8-5-9-15-12(2)10-14/h11-12H,3-10,13H2,1-2H3
InChIKeyFEJHVUOPURKAKZ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds5

About 6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine

6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine (PubChem CID 62986916) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine.

Molecular Properties

Compound Name6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine
PubChem CID62986916
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine
SMILESCC(N)CCCCN1CCCOC(C)C1
InChIInChI=1S/C12H26N2O/c1-11(13)6-3-4-7-14-8-5-9-15-12(2)10-14/h11-12H,3-10,13H2,1-2H3
InChIKeyFEJHVUOPURKAKZ-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine
CID 106799763
4-(9-bromononyl)-2-methyl-1,4-oxazepane
CID 105343753
4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide
CID 63583172
N'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
CID 76979643
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
CID 55205489
2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)hexanoic acid
CID 62974040
2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine
CID 62973749
2-amino-3-(2-methyl-1,4-oxazepan-4-yl)propanoic acid
CID 62972400
2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
CID 63070656
ethyl 2-(methylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 55145486
3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propanenitrile
CID 94906828

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine?
The IUPAC name of 6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine (CID 62986916) is 6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine.
What is the SMILES notation for 6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine?
The canonical SMILES for 6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine is CC(N)CCCCN1CCCOC(C)C1.
What is the InChIKey of 6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine?
The InChIKey is FEJHVUOPURKAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(13)6-3-4-7-14-8-5-9-15-12(2)10-14/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine?
6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine is sourced from PubChem (CID 62986916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).