2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

C44H86N8 — CID 160995131

IUPAC2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

SMILESCC(C)N1C2CCC1CC2.CC(C)N1C2CCC1CNC2.CC(C)N1CC2CC(C1)N2.CC(C)N1CC2CCC(C1)N2.CC(C)N1CC2CCC1C2

InChIInChI=1S/2C9H18N2.2C9H17N.C8H16N2/c1-7(2)11-5-8-3-4-9(6-11)10-8;1-7(2)11-8-3-4-9(11)6-10-5-8;1-7(2)10-6-8-3-4-9(10)5-8;1-7(2)10-8-3-4-9(10)6-5-8;1-6(2)10-4-7-3-8(5-10)9-7/h2*7-10H,3-6H2,1-2H3;2*7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3

InChIKeyTVDICCQQOJCEST-UHFFFAOYSA-N

MW727.23 g/mol

LogP6.00

Rot. Bonds5

About 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 160995131) has the molecular formula C44H86N8 and a molecular weight of 727.23 g/mol. Its IUPAC name is 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name	2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID	160995131
Molecular Formula	C44H86N8
Molecular Weight	727.23 g/mol
Exact Mass	726.70
IUPAC Name	2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILES	CC(C)N1C2CCC1CC2.CC(C)N1C2CCC1CNC2.CC(C)N1CC2CC(C1)N2.CC(C)N1CC2CCC(C1)N2.CC(C)N1CC2CCC1C2
InChI	InChI=1S/2C9H18N2.2C9H17N.C8H16N2/c1-7(2)11-5-8-3-4-9(6-11)10-8;1-7(2)11-8-3-4-9(11)6-10-5-8;1-7(2)10-6-8-3-4-9(10)5-8;1-7(2)10-8-3-4-9(10)6-5-8;1-6(2)10-4-7-3-8(5-10)9-7/h27-10H,3-6H2,1-2H3;27-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3
InChIKey	TVDICCQQOJCEST-UHFFFAOYSA-N
XLogP	6.00
TPSA	52.29 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	5
Heavy Atoms	52
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.23
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?

The IUPAC name of 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 160995131) is 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.

What is the SMILES notation for 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?

The canonical SMILES for 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is CC(C)N1C2CCC1CC2.CC(C)N1C2CCC1CNC2.CC(C)N1CC2CC(C1)N2.CC(C)N1CC2CCC(C1)N2.CC(C)N1CC2CCC1C2.

What is the InChIKey of 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?

The InChIKey is TVDICCQQOJCEST-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2.2C9H17N.C8H16N2/c1-7(2)11-5-8-3-4-9(6-11)10-8;1-7(2)11-8-3-4-9(11)6-10-5-8;1-7(2)10-6-8-3-4-9(10)5-8;1-7(2)10-8-3-4-9(10)6-5-8;1-6(2)10-4-7-3-8(5-10)9-7/h2*7-10H,3-6H2,1-2H3;2*7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3.

What are the key properties of 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?

2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 727.23 g/mol, XLogP of 6.00, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 160995131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).