N'-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C16H33N3O — CID 102994234

IUPACN'-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C16H33N3O/c1-6-19(10-7-9-18(4)5)12-16(17)13-8-11-20-14(13)15(16,2)3/h13-14H,6-12,17H2,1-5H3
InChIKeyUZMBNSRRNKUBBP-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.40
Rot. Bonds7

About N'-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102994234) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N'-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102994234
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN'-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C16H33N3O/c1-6-19(10-7-9-18(4)5)12-16(17)13-8-11-20-14(13)15(16,2)3/h13-14H,6-12,17H2,1-5H3
InChIKeyUZMBNSRRNKUBBP-UHFFFAOYSA-N
XLogP1.40
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of N'-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102994234) is N'-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)CC1(N)C2CCOC2C1(C)C.
What is the InChIKey of N'-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is UZMBNSRRNKUBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-19(10-7-9-18(4)5)12-16(17)13-8-11-20-14(13)15(16,2)3/h13-14H,6-12,17H2,1-5H3.
What are the key properties of N'-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 283.46 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102994234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).