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

C15H30N2O — CID 64863147

IUPAC2-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NC1C2CCOC2C1(C)C
InChIInChI=1S/C15H30N2O/c1-6-17(7-2)10-11(3)16-13-12-8-9-18-14(12)15(13,4)5/h11-14,16H,6-10H2,1-5H3
InChIKeyMFZLQDIUEZUWDR-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds6

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

2-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-N,1-N-diethylpropane-1,2-diamine (PubChem CID 64863147) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-N,1-N-diethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-N,1-N-diethylpropane-1,2-diamine
PubChem CID64863147
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NC1C2CCOC2C1(C)C
InChIInChI=1S/C15H30N2O/c1-6-17(7-2)10-11(3)16-13-12-8-9-18-14(12)15(13,4)5/h11-14,16H,6-10H2,1-5H3
InChIKeyMFZLQDIUEZUWDR-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The IUPAC name of 2-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-N,1-N-diethylpropane-1,2-diamine (CID 64863147) is 2-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-N,1-N-diethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-N,1-N-diethylpropane-1,2-diamine is CCN(CC)CC(C)NC1C2CCOC2C1(C)C.
What is the InChIKey of 2-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The InChIKey is MFZLQDIUEZUWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-17(7-2)10-11(3)16-13-12-8-9-18-14(12)15(13,4)5/h11-14,16H,6-10H2,1-5H3.
What are the key properties of 2-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-N,1-N-diethylpropane-1,2-diamine?
2-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-N,1-N-diethylpropane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-N,1-N-diethylpropane-1,2-diamine is sourced from PubChem (CID 64863147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).