2-N-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C16H33N3O — CID 103189447

IUPAC2-N-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC1(N)C2CCOC2C1(C)C)C(C)CN(C)C
InChIInChI=1S/C16H33N3O/c1-7-19(12(2)10-18(5)6)11-16(17)13-8-9-20-14(13)15(16,3)4/h12-14H,7-11,17H2,1-6H3
InChIKeyAXCJPIALPRMQDX-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.40
Rot. Bonds6

About 2-N-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103189447) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-N-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103189447
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-N-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC1(N)C2CCOC2C1(C)C)C(C)CN(C)C
InChIInChI=1S/C16H33N3O/c1-7-19(12(2)10-18(5)6)11-16(17)13-8-9-20-14(13)15(16,3)4/h12-14H,7-11,17H2,1-6H3
InChIKeyAXCJPIALPRMQDX-UHFFFAOYSA-N
XLogP1.40
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103189447) is 2-N-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(CC1(N)C2CCOC2C1(C)C)C(C)CN(C)C.
What is the InChIKey of 2-N-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is AXCJPIALPRMQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-7-19(12(2)10-18(5)6)11-16(17)13-8-9-20-14(13)15(16,3)4/h12-14H,7-11,17H2,1-6H3.
What are the key properties of 2-N-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 283.46 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103189447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).