7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C16H32N2O2 — CID 114947719

IUPAC7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCCN(CC1(N)C2CCCOC2C1(C)C)C(C)COC
InChIInChI=1S/C16H32N2O2/c1-6-18(12(2)10-19-5)11-16(17)13-8-7-9-20-14(13)15(16,3)4/h12-14H,6-11,17H2,1-5H3
InChIKeyNGYZRFHZUTZCTJ-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.88
Rot. Bonds6

About 7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 114947719) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID114947719
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCCN(CC1(N)C2CCCOC2C1(C)C)C(C)COC
InChIInChI=1S/C16H32N2O2/c1-6-18(12(2)10-19-5)11-16(17)13-8-7-9-20-14(13)15(16,3)4/h12-14H,6-11,17H2,1-5H3
InChIKeyNGYZRFHZUTZCTJ-UHFFFAOYSA-N
XLogP1.88
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 75516169
8,8-Dimethyl-7-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947344
7-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947717
7-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947730
8,8-Dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947733
8,8-Dimethyl-7-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947735
8,8-Dimethyl-7-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948111
7-[[2,2-Difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948361
8,8-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863985
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 64864800
8,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865165
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 75516166

Frequently Asked Questions

What is the IUPAC name of 7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 114947719) is 7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CCN(CC1(N)C2CCCOC2C1(C)C)C(C)COC.
What is the InChIKey of 7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is NGYZRFHZUTZCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-18(12(2)10-19-5)11-16(17)13-8-7-9-20-14(13)15(16,3)4/h12-14H,6-11,17H2,1-5H3.
What are the key properties of 7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 284.44 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 114947719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).