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

C10H20N2O — CID 64862941

IUPACN'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)ethane-1,2-diamine
SMILESCC1(C)C(NCCN)C2CCOC21
InChIInChI=1S/C10H20N2O/c1-10(2)8(12-5-4-11)7-3-6-13-9(7)10/h7-9,12H,3-6,11H2,1-2H3
InChIKeyYSMMMGUVFAFNFC-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.35
Rot. Bonds3

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

N'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)ethane-1,2-diamine (PubChem CID 64862941) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)ethane-1,2-diamine
PubChem CID64862941
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)ethane-1,2-diamine
SMILESCC1(C)C(NCCN)C2CCOC21
InChIInChI=1S/C10H20N2O/c1-10(2)8(12-5-4-11)7-3-6-13-9(7)10/h7-9,12H,3-6,11H2,1-2H3
InChIKeyYSMMMGUVFAFNFC-UHFFFAOYSA-N
XLogP0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)ethane-1,2-diamine?
The IUPAC name of N'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)ethane-1,2-diamine (CID 64862941) is N'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)ethane-1,2-diamine is CC1(C)C(NCCN)C2CCOC21.
What is the InChIKey of N'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)ethane-1,2-diamine?
The InChIKey is YSMMMGUVFAFNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2)8(12-5-4-11)7-3-6-13-9(7)10/h7-9,12H,3-6,11H2,1-2H3.
What are the key properties of N'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)ethane-1,2-diamine?
N'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)ethane-1,2-diamine has a molecular weight of 184.28 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 64862941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).