2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane

C29H55N3 — CID 160647672

IUPAC2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCCC1CC2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CC2CCC1C2
InChIInChI=1S/2C10H19N.C9H17N/c1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-6-8-3-4-9(10)5-8/h2*8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3
InChIKeyRJZQVYGHDNCVOG-UHFFFAOYSA-N
MW445.78 g/mol
LogP6.42
Rot. Bonds3

About 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane

2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 160647672) has the molecular formula C29H55N3 and a molecular weight of 445.78 g/mol. Its IUPAC name is 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID160647672
Molecular FormulaC29H55N3
Molecular Weight445.78 g/mol
Exact Mass445.44
IUPAC Name2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCCC1CC2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CC2CCC1C2
InChIInChI=1S/2C10H19N.C9H17N/c1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-6-8-3-4-9(10)5-8/h2*8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3
InChIKeyRJZQVYGHDNCVOG-UHFFFAOYSA-N
XLogP6.42
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.78
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane with MolForge

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Launch Full Analysis

Related Compounds

2-Tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;methane
CID 157408886
3-Propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine
CID 157644157
7-Propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 158085726
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane
CID 158335310
Methane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 158932354
Ethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine
CID 159592269
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane
CID 159893246
3-Propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 163531661
Methane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 165056841

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane (CID 160647672) is 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane is CC(C)N1C2CCCC1CC2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CC2CCC1C2.
What is the InChIKey of 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is RJZQVYGHDNCVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19N.C9H17N/c1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-6-8-3-4-9(10)5-8/h2*8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane?
2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 445.78 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 160647672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).