6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one

C13H26N2O2 — CID 65291131

IUPAC6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one
SMILESCC(C)(CCN)CCC(=O)N1CCCOCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,6-7-14)5-4-12(16)15-8-3-10-17-11-9-15/h3-11,14H2,1-2H3
InChIKeySNEKJKOXKJSBJW-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds5

About 6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one

6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one (PubChem CID 65291131) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one
PubChem CID65291131
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one
SMILESCC(C)(CCN)CCC(=O)N1CCCOCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,6-7-14)5-4-12(16)15-8-3-10-17-11-9-15/h3-11,14H2,1-2H3
InChIKeySNEKJKOXKJSBJW-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-1-(4-hydroxypiperidin-1-yl)-4,4-dimethylhexan-1-one
CID 65293101
7-amino-1-(1,4-oxazepan-4-yl)heptan-1-one
CID 62973457
3,3-dimethyl-1-(1,4-oxazepan-4-yl)butan-1-one
CID 58395315
6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one
CID 107222893
4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide
CID 65290869
6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one
CID 65291006
6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one
CID 65291232
1-(6-amino-4,4-dimethylhexanoyl)piperidine-3-carboxamide
CID 65292570
6-amino-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylhexan-1-one
CID 65293281
5-amino-1-morpholin-4-ylpentan-1-one
CID 54404632
N-(5-amino-2,2-dimethylpentyl)morpholine-4-carboxamide
CID 106141337
N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 65290824

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one?
The IUPAC name of 6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one (CID 65291131) is 6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one.
What is the SMILES notation for 6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one?
The canonical SMILES for 6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one is CC(C)(CCN)CCC(=O)N1CCCOCC1.
What is the InChIKey of 6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one?
The InChIKey is SNEKJKOXKJSBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,6-7-14)5-4-12(16)15-8-3-10-17-11-9-15/h3-11,14H2,1-2H3.
What are the key properties of 6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one?
6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one is sourced from PubChem (CID 65291131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).