3,8-diazabicyclo[3.2.1]octan-3-amine;ethane;ethene;8-methyl-3,8-diazabicyclo[3.2.1]octane

C19H43N5 — CID 145318052

IUPAC3,8-diazabicyclo[3.2.1]octan-3-amine;ethane;ethene;8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESC=C.CC.CC.CN1C2CCC1CNC2.NN1CC2CCC(C1)N2
InChIInChI=1S/C7H14N2.C6H13N3.2C2H6.C2H4/c1-9-6-2-3-7(9)5-8-4-6;7-9-3-5-1-2-6(4-9)8-5;3*1-2/h6-8H,2-5H2,1H3;5-6,8H,1-4,7H2;2*1-2H3;1-2H2
InChIKeyNGQPHYZBPVFYMO-UHFFFAOYSA-N
MW341.59 g/mol
LogP2.20
Rot. Bonds

About 3,8-diazabicyclo[3.2.1]octan-3-amine;ethane;ethene;8-methyl-3,8-diazabicyclo[3.2.1]octane

3,8-diazabicyclo[3.2.1]octan-3-amine;ethane;ethene;8-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 145318052) has the molecular formula C19H43N5 and a molecular weight of 341.59 g/mol. Its IUPAC name is 3,8-diazabicyclo[3.2.1]octan-3-amine;ethane;ethene;8-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3,8-diazabicyclo[3.2.1]octan-3-amine;ethane;ethene;8-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID145318052
Molecular FormulaC19H43N5
Molecular Weight341.59 g/mol
Exact Mass341.35
IUPAC Name3,8-diazabicyclo[3.2.1]octan-3-amine;ethane;ethene;8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESC=C.CC.CC.CN1C2CCC1CNC2.NN1CC2CCC(C1)N2
InChIInChI=1S/C7H14N2.C6H13N3.2C2H6.C2H4/c1-9-6-2-3-7(9)5-8-4-6;7-9-3-5-1-2-6(4-9)8-5;3*1-2/h6-8H,2-5H2,1H3;5-6,8H,1-4,7H2;2*1-2H3;1-2H2
InChIKeyNGQPHYZBPVFYMO-UHFFFAOYSA-N
XLogP2.20
TPSA56.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,8-diazabicyclo[3.2.1]octan-3-amine;ethane;ethene;8-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3,8-diazabicyclo[3.2.1]octan-3-amine;ethane;ethene;8-methyl-3,8-diazabicyclo[3.2.1]octane (CID 145318052) is 3,8-diazabicyclo[3.2.1]octan-3-amine;ethane;ethene;8-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3,8-diazabicyclo[3.2.1]octan-3-amine;ethane;ethene;8-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3,8-diazabicyclo[3.2.1]octan-3-amine;ethane;ethene;8-methyl-3,8-diazabicyclo[3.2.1]octane is C=C.CC.CC.CN1C2CCC1CNC2.NN1CC2CCC(C1)N2.
What is the InChIKey of 3,8-diazabicyclo[3.2.1]octan-3-amine;ethane;ethene;8-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is NGQPHYZBPVFYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C6H13N3.2C2H6.C2H4/c1-9-6-2-3-7(9)5-8-4-6;7-9-3-5-1-2-6(4-9)8-5;3*1-2/h6-8H,2-5H2,1H3;5-6,8H,1-4,7H2;2*1-2H3;1-2H2.
What are the key properties of 3,8-diazabicyclo[3.2.1]octan-3-amine;ethane;ethene;8-methyl-3,8-diazabicyclo[3.2.1]octane?
3,8-diazabicyclo[3.2.1]octan-3-amine;ethane;ethene;8-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 341.59 g/mol, XLogP of 2.20, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diazabicyclo[3.2.1]octan-3-amine;ethane;ethene;8-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 145318052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).