adamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane

C85H155N9 — CID 157424933

IUPACadamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane
SMILESC1C2CC3CC1CC(C2)C3.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CCC1CNC2.C1CC2CNC(C1)C2.C1CC2CNCC1C2.C1NC2CC3CC1CC(C3)C2.CC1(C)CC2CC(C)(CN2)C1.CC12CCC(CNC1)C2(C)C.CC12CCCC(NC1)C2(C)C
InChIInChI=1S/C10H17N.3C10H19N.C10H16.C8H15N.3C7H13N.C6H11N/c1-7-2-9-3-8(1)5-10(4-7)11-6-9;1-9(2)4-8-5-10(3,6-9)7-11-8;1-9(2)8-4-5-10(9,3)7-11-6-8;1-9(2)8-5-4-6-10(9,3)7-11-8;1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-8-4-3-7(1)5-9-6-8;1-2-7-3-6(1)4-8-5-7;1-2-6-4-7(3-1)8-5-6;1-2-6-4-5-7(3-1)8-6;1-2-6-3-5(1)4-7-6/h7-11H,1-6H2;3*8,11H,4-7H2,1-3H3;7-10H,1-6H2;7-9H,1-6H2;3*6-8H,1-5H2;5-7H,1-4H2
InChIKeyBPVSWVZBJFSRDQ-UHFFFAOYSA-N
MW1303.24 g/mol
LogP16.60
Rot. Bonds

About adamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane

adamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane (PubChem CID 157424933) has the molecular formula C85H155N9 and a molecular weight of 1303.24 g/mol. Its IUPAC name is adamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Nameadamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane
PubChem CID157424933
Molecular FormulaC85H155N9
Molecular Weight1303.24 g/mol
Exact Mass1302.24
IUPAC Nameadamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane
SMILESC1C2CC3CC1CC(C2)C3.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CCC1CNC2.C1CC2CNC(C1)C2.C1CC2CNCC1C2.C1NC2CC3CC1CC(C3)C2.CC1(C)CC2CC(C)(CN2)C1.CC12CCC(CNC1)C2(C)C.CC12CCCC(NC1)C2(C)C
InChIInChI=1S/C10H17N.3C10H19N.C10H16.C8H15N.3C7H13N.C6H11N/c1-7-2-9-3-8(1)5-10(4-7)11-6-9;1-9(2)4-8-5-10(3,6-9)7-11-8;1-9(2)8-4-5-10(9,3)7-11-6-8;1-9(2)8-5-4-6-10(9,3)7-11-8;1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-8-4-3-7(1)5-9-6-8;1-2-7-3-6(1)4-8-5-7;1-2-6-4-7(3-1)8-5-6;1-2-6-4-5-7(3-1)8-6;1-2-6-3-5(1)4-7-6/h7-11H,1-6H2;3*8,11H,4-7H2,1-3H3;7-10H,1-6H2;7-9H,1-6H2;3*6-8H,1-5H2;5-7H,1-4H2
InChIKeyBPVSWVZBJFSRDQ-UHFFFAOYSA-N
XLogP16.60
TPSA108.27 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001303.24
LogP ≤ 516.60
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze adamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of adamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane?
The IUPAC name of adamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane (CID 157424933) is adamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for adamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane?
The canonical SMILES for adamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane is C1C2CC3CC1CC(C2)C3.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CCC1CNC2.C1CC2CNC(C1)C2.C1CC2CNCC1C2.C1NC2CC3CC1CC(C3)C2.CC1(C)CC2CC(C)(CN2)C1.CC12CCC(CNC1)C2(C)C.CC12CCCC(NC1)C2(C)C.
What is the InChIKey of adamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane?
The InChIKey is BPVSWVZBJFSRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.3C10H19N.C10H16.C8H15N.3C7H13N.C6H11N/c1-7-2-9-3-8(1)5-10(4-7)11-6-9;1-9(2)4-8-5-10(3,6-9)7-11-8;1-9(2)8-4-5-10(9,3)7-11-6-8;1-9(2)8-5-4-6-10(9,3)7-11-8;1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-8-4-3-7(1)5-9-6-8;1-2-7-3-6(1)4-8-5-7;1-2-6-4-7(3-1)8-5-6;1-2-6-4-5-7(3-1)8-6;1-2-6-3-5(1)4-7-6/h7-11H,1-6H2;3*8,11H,4-7H2,1-3H3;7-10H,1-6H2;7-9H,1-6H2;3*6-8H,1-5H2;5-7H,1-4H2.
What are the key properties of adamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane?
adamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane has a molecular weight of 1303.24 g/mol, XLogP of 16.60, 0 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 157424933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).