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

C11H22N2 — CID 146942444

IUPAC(1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCCCN1C[C@@H]2C[C@H]1CN2CCC
InChIInChI=1S/C11H22N2/c1-3-5-12-8-11-7-10(12)9-13(11)6-4-2/h10-11H,3-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyAHDHLDZYSFCIJN-QWRGUYRKSA-N
MW182.31 g/mol
LogP1.56
Rot. Bonds4

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

(1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 146942444) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID146942444
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCCCN1C[C@@H]2C[C@H]1CN2CCC
InChIInChI=1S/C11H22N2/c1-3-5-12-8-11-7-10(12)9-13(11)6-4-2/h10-11H,3-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyAHDHLDZYSFCIJN-QWRGUYRKSA-N
XLogP1.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane (CID 146942444) is (1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane is CCCN1C[C@@H]2C[C@H]1CN2CCC.
What is the InChIKey of (1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is AHDHLDZYSFCIJN-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-5-12-8-11-7-10(12)9-13(11)6-4-2/h10-11H,3-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane?
(1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 182.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 146942444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).