(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

C8H16N2 — CID 24787295

IUPAC(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C8H16N2/c1-6(2)10-5-7-3-8(10)4-9-7/h6-9H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyFUMTXFNRSOTREL-YUMQZZPRSA-N
MW140.23 g/mol
LogP0.44
Rot. Bonds1

About (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 24787295) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID24787295
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C8H16N2/c1-6(2)10-5-7-3-8(10)4-9-7/h6-9H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyFUMTXFNRSOTREL-YUMQZZPRSA-N
XLogP0.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (CID 24787295) is (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is CC(C)N1C[C@@H]2C[C@H]1CN2.
What is the InChIKey of (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is FUMTXFNRSOTREL-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(2)10-5-7-3-8(10)4-9-7/h6-9H,3-5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 140.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 24787295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).