N,N'-bis(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,N'-dimethylethane-1,2-diamine

C20H36N2O2 — CID 102558002

IUPACN,N'-bis(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)C1C2CCOC2C1(C)C)C1C2CCOC2C1(C)C
InChIInChI=1S/C20H36N2O2/c1-19(2)15(13-7-11-23-17(13)19)21(5)9-10-22(6)16-14-8-12-24-18(14)20(16,3)4/h13-18H,7-12H2,1-6H3
InChIKeyGYUGBTDCQNHAMO-UHFFFAOYSA-N
MW336.52 g/mol
LogP2.48
Rot. Bonds5

About N,N'-bis(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,N'-dimethylethane-1,2-diamine

N,N'-bis(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 102558002) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N,N'-bis(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID102558002
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC NameN,N'-bis(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)C1C2CCOC2C1(C)C)C1C2CCOC2C1(C)C
InChIInChI=1S/C20H36N2O2/c1-19(2)15(13-7-11-23-17(13)19)21(5)9-10-22(6)16-14-8-12-24-18(14)20(16,3)4/h13-18H,7-12H2,1-6H3
InChIKeyGYUGBTDCQNHAMO-UHFFFAOYSA-N
XLogP2.48
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N,N'-bis(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,N'-dimethylethane-1,2-diamine (CID 102558002) is N,N'-bis(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N,N'-bis(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,N'-dimethylethane-1,2-diamine is CN(CCN(C)C1C2CCOC2C1(C)C)C1C2CCOC2C1(C)C.
What is the InChIKey of N,N'-bis(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is GYUGBTDCQNHAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-19(2)15(13-7-11-23-17(13)19)21(5)9-10-22(6)16-14-8-12-24-18(14)20(16,3)4/h13-18H,7-12H2,1-6H3.
What are the key properties of N,N'-bis(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,N'-dimethylethane-1,2-diamine?
N,N'-bis(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 336.52 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 102558002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).