4-propan-2-yl-6-propyl-1,2-diazabicyclo[3.1.0]hexa-2,4-diene

C10H16N2 — CID 130223264

IUPAC4-propan-2-yl-6-propyl-1,2-diazabicyclo[3.1.0]hexa-2,4-diene
SMILESCCCC1c2c(C(C)C)cnn21
InChIInChI=1S/C10H16N2/c1-4-5-9-10-8(7(2)3)6-11-12(9)10/h6-7,9H,4-5H2,1-3H3
InChIKeyZWPBJXSERFVPAV-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.71
Rot. Bonds3

About 4-propan-2-yl-6-propyl-1,2-diazabicyclo[3.1.0]hexa-2,4-diene

4-propan-2-yl-6-propyl-1,2-diazabicyclo[3.1.0]hexa-2,4-diene (PubChem CID 130223264) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-propan-2-yl-6-propyl-1,2-diazabicyclo[3.1.0]hexa-2,4-diene.

Molecular Properties

Compound Name4-propan-2-yl-6-propyl-1,2-diazabicyclo[3.1.0]hexa-2,4-diene
PubChem CID130223264
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-propan-2-yl-6-propyl-1,2-diazabicyclo[3.1.0]hexa-2,4-diene
SMILESCCCC1c2c(C(C)C)cnn21
InChIInChI=1S/C10H16N2/c1-4-5-9-10-8(7(2)3)6-11-12(9)10/h6-7,9H,4-5H2,1-3H3
InChIKeyZWPBJXSERFVPAV-UHFFFAOYSA-N
XLogP2.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-6-propyl-1,2-diazabicyclo[3.1.0]hexa-2,4-diene?
The IUPAC name of 4-propan-2-yl-6-propyl-1,2-diazabicyclo[3.1.0]hexa-2,4-diene (CID 130223264) is 4-propan-2-yl-6-propyl-1,2-diazabicyclo[3.1.0]hexa-2,4-diene.
What is the SMILES notation for 4-propan-2-yl-6-propyl-1,2-diazabicyclo[3.1.0]hexa-2,4-diene?
The canonical SMILES for 4-propan-2-yl-6-propyl-1,2-diazabicyclo[3.1.0]hexa-2,4-diene is CCCC1c2c(C(C)C)cnn21.
What is the InChIKey of 4-propan-2-yl-6-propyl-1,2-diazabicyclo[3.1.0]hexa-2,4-diene?
The InChIKey is ZWPBJXSERFVPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-5-9-10-8(7(2)3)6-11-12(9)10/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 4-propan-2-yl-6-propyl-1,2-diazabicyclo[3.1.0]hexa-2,4-diene?
4-propan-2-yl-6-propyl-1,2-diazabicyclo[3.1.0]hexa-2,4-diene has a molecular weight of 164.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-6-propyl-1,2-diazabicyclo[3.1.0]hexa-2,4-diene is sourced from PubChem (CID 130223264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).