4,10-dibutyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane

C20H36N2 — CID 162493113

IUPAC4,10-dibutyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane
SMILESCCCCN1CC2C3CCC(C2C1)C1CN(CCCC)CC31
InChIInChI=1S/C20H36N2/c1-3-5-9-21-11-17-15-7-8-16(18(17)12-21)20-14-22(10-6-4-2)13-19(15)20/h15-20H,3-14H2,1-2H3
InChIKeyRJONXNMZVGYSQV-UHFFFAOYSA-N
MW304.52 g/mol
LogP3.72
Rot. Bonds6

About 4,10-dibutyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane

4,10-dibutyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane (PubChem CID 162493113) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 4,10-dibutyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane.

Molecular Properties

Compound Name4,10-dibutyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane
PubChem CID162493113
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name4,10-dibutyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane
SMILESCCCCN1CC2C3CCC(C2C1)C1CN(CCCC)CC31
InChIInChI=1S/C20H36N2/c1-3-5-9-21-11-17-15-7-8-16(18(17)12-21)20-14-22(10-6-4-2)13-19(15)20/h15-20H,3-14H2,1-2H3
InChIKeyRJONXNMZVGYSQV-UHFFFAOYSA-N
XLogP3.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
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CID 64850440
1-butylpyrrolidin-3-amine;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4,10-dibutyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane?
The IUPAC name of 4,10-dibutyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane (CID 162493113) is 4,10-dibutyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane.
What is the SMILES notation for 4,10-dibutyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane?
The canonical SMILES for 4,10-dibutyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane is CCCCN1CC2C3CCC(C2C1)C1CN(CCCC)CC31.
What is the InChIKey of 4,10-dibutyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane?
The InChIKey is RJONXNMZVGYSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-3-5-9-21-11-17-15-7-8-16(18(17)12-21)20-14-22(10-6-4-2)13-19(15)20/h15-20H,3-14H2,1-2H3.
What are the key properties of 4,10-dibutyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane?
4,10-dibutyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane has a molecular weight of 304.52 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dibutyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane is sourced from PubChem (CID 162493113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).