N,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine

C8H15NO3 — CID 144781805

IUPACN,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine
SMILESCC1CC(N(C)C)C2OOC2O1
InChIInChI=1S/C8H15NO3/c1-5-4-6(9(2)3)7-8(10-5)12-11-7/h5-8H,4H2,1-3H3
InChIKeyQNHZYSRYJPKYFW-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.38
Rot. Bonds1

About N,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine

N,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine (PubChem CID 144781805) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine
PubChem CID144781805
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine
SMILESCC1CC(N(C)C)C2OOC2O1
InChIInChI=1S/C8H15NO3/c1-5-4-6(9(2)3)7-8(10-5)12-11-7/h5-8H,4H2,1-3H3
InChIKeyQNHZYSRYJPKYFW-UHFFFAOYSA-N
XLogP0.38
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine
CID 143366374
(2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
CID 89217462
[(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite
CID 134302754
(2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane
CID 145399800
(2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde
CID 142966665
4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 67952449
(3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine
CID 165025782
(3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol
CID 14139769
(3S)-4-(dimethylamino)-6-methyloxan-3-ol
CID 89038501
4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol
CID 167098136
(4R,7R)-2-(dimethylamino)-8-oxabicyclo[5.1.0]octan-4-ol
CID 90321400
[(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate
CID 145284278

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine?
The IUPAC name of N,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine (CID 144781805) is N,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine.
What is the SMILES notation for N,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine?
The canonical SMILES for N,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine is CC1CC(N(C)C)C2OOC2O1.
What is the InChIKey of N,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine?
The InChIKey is QNHZYSRYJPKYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5-4-6(9(2)3)7-8(10-5)12-11-7/h5-8H,4H2,1-3H3.
What are the key properties of N,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine?
N,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine has a molecular weight of 173.21 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine is sourced from PubChem (CID 144781805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).