ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

C10H22N2 — CID 170980461

IUPACethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC.CC(C)N1CC2CC1CN2
InChIInChI=1S/C8H16N2.C2H6/c1-6(2)10-5-7-3-8(10)4-9-7;1-2/h6-9H,3-5H2,1-2H3;1-2H3
InChIKeyYWLRLOCWVYEDFW-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.47
Rot. Bonds1

About ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 170980461) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Nameethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID170980461
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nameethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC.CC(C)N1CC2CC1CN2
InChIInChI=1S/C8H16N2.C2H6/c1-6(2)10-5-7-3-8(10)4-9-7;1-2/h6-9H,3-5H2,1-2H3;1-2H3
InChIKeyYWLRLOCWVYEDFW-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (CID 170980461) is ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is CC.CC(C)N1CC2CC1CN2.
What is the InChIKey of ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is YWLRLOCWVYEDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C2H6/c1-6(2)10-5-7-3-8(10)4-9-7;1-2/h6-9H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 170.30 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 170980461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).