N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C17H34N2O — CID 64862627

IUPACN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNC1C2CCCOC2C1(C)C)C(C)C
InChIInChI=1S/C17H34N2O/c1-12(2)19(13(3)4)10-9-18-15-14-8-7-11-20-16(14)17(15,5)6/h12-16,18H,7-11H2,1-6H3
InChIKeyQMLWROTXLOAVGV-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds6

About N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 64862627) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID64862627
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNC1C2CCCOC2C1(C)C)C(C)C
InChIInChI=1S/C17H34N2O/c1-12(2)19(13(3)4)10-9-18-15-14-8-7-11-20-16(14)17(15,5)6/h12-16,18H,7-11H2,1-6H3
InChIKeyQMLWROTXLOAVGV-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 64862627) is N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNC1C2CCCOC2C1(C)C)C(C)C.
What is the InChIKey of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is QMLWROTXLOAVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-12(2)19(13(3)4)10-9-18-15-14-8-7-11-20-16(14)17(15,5)6/h12-16,18H,7-11H2,1-6H3.
What are the key properties of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 64862627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).