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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Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine
CID 43435522
1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole
CID 169167177
5-ethyl-1,4-di(propan-2-yl)pyrazole
CID 146648119
2,2-difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol
CID 146645478
5-bromo-1-methyl-4-propan-2-ylpyrazole
CID 84671203
5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 176763523
1-(4-methoxycyclohexyl)-5-methyl-4-propan-2-ylpyrazole
CID 176692261
2-ethyl-4-propan-2-ylpyridin-3-amine
CID 134560742
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine
CID 174196547
5-methoxy-1-methyl-4-propan-2-ylpyrazole
CID 146481002
5-chloro-1,4-di(propan-2-yl)pyrazole
CID 90145823

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).