1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;adamantan-1-amine;adamantan-2-amine;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

C68H122N8 — CID 157089010

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;adamantan-1-amine;adamantan-2-amine;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
SMILESC1CC2CCC(C1)N2.C1CC2CCC1CNC2.C1CC2CNC(C1)C2.C1CC2CNCC1C2.C1CCC2NCCCC2C1.C1NC2CC3CC1CC(C3)C2.NC12CC3CC(CC(C3)C1)C2.NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/3C10H17N.C9H17N.C8H15N.3C7H13N/c1-7-2-9-3-8(1)5-10(4-7)11-6-9;11-10-4-7-1-8(5-10)3-9(2-7)6-10;11-10-8-2-6-1-7(4-8)5-9(10)3-6;1-2-6-9-8(4-1)5-3-7-10-9;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/h7-11H,1-6H2;7-9H,1-6,11H2;6-10H,1-5,11H2;8-10H,1-7H2;7-9H,1-6H2;3*6-8H,1-5H2
InChIKeyAEKYEQFAXYYAFZ-UHFFFAOYSA-N
MW1051.78 g/mol
LogP12.24
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;adamantan-1-amine;adamantan-2-amine;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

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;adamantan-1-amine;adamantan-2-amine;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 (PubChem CID 157089010) has the molecular formula C68H122N8 and a molecular weight of 1051.78 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;adamantan-1-amine;adamantan-2-amine;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.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;adamantan-1-amine;adamantan-2-amine;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
PubChem CID157089010
Molecular FormulaC68H122N8
Molecular Weight1051.78 g/mol
Exact Mass1050.98
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;adamantan-1-amine;adamantan-2-amine;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
SMILESC1CC2CCC(C1)N2.C1CC2CCC1CNC2.C1CC2CNC(C1)C2.C1CC2CNCC1C2.C1CCC2NCCCC2C1.C1NC2CC3CC1CC(C3)C2.NC12CC3CC(CC(C3)C1)C2.NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/3C10H17N.C9H17N.C8H15N.3C7H13N/c1-7-2-9-3-8(1)5-10(4-7)11-6-9;11-10-4-7-1-8(5-10)3-9(2-7)6-10;11-10-8-2-6-1-7(4-8)5-9(10)3-6;1-2-6-9-8(4-1)5-3-7-10-9;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/h7-11H,1-6H2;7-9H,1-6,11H2;6-10H,1-5,11H2;8-10H,1-7H2;7-9H,1-6H2;3*6-8H,1-5H2
InChIKeyAEKYEQFAXYYAFZ-UHFFFAOYSA-N
XLogP12.24
TPSA124.22 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001051.78
LogP ≤ 512.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;adamantan-1-amine;adamantan-2-amine;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 with MolForge

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline;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
CID 158594874
1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline;adamantan-1-amine;adamantan-2-amine;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 158711345
1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-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 158980405
1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 159949304
1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline;adamantan-1-amine;adamantan-2-amine;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-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 161713214
1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline;3-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
CID 161948053

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;adamantan-1-amine;adamantan-2-amine;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?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;adamantan-1-amine;adamantan-2-amine;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 (CID 157089010) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;adamantan-1-amine;adamantan-2-amine;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.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;adamantan-1-amine;adamantan-2-amine;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?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;adamantan-1-amine;adamantan-2-amine;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 is C1CC2CCC(C1)N2.C1CC2CCC1CNC2.C1CC2CNC(C1)C2.C1CC2CNCC1C2.C1CCC2NCCCC2C1.C1NC2CC3CC1CC(C3)C2.NC12CC3CC(CC(C3)C1)C2.NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;adamantan-1-amine;adamantan-2-amine;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?
The InChIKey is AEKYEQFAXYYAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H17N.C9H17N.C8H15N.3C7H13N/c1-7-2-9-3-8(1)5-10(4-7)11-6-9;11-10-4-7-1-8(5-10)3-9(2-7)6-10;11-10-8-2-6-1-7(4-8)5-9(10)3-6;1-2-6-9-8(4-1)5-3-7-10-9;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/h7-11H,1-6H2;7-9H,1-6,11H2;6-10H,1-5,11H2;8-10H,1-7H2;7-9H,1-6H2;3*6-8H,1-5H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;adamantan-1-amine;adamantan-2-amine;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?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;adamantan-1-amine;adamantan-2-amine;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 has a molecular weight of 1051.78 g/mol, XLogP of 12.24, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;adamantan-1-amine;adamantan-2-amine;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 is sourced from PubChem (CID 157089010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).