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

C98H179N11 — CID 158711345

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;1,3,3-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

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 (PubChem CID 158711345) has the molecular formula C98H179N11 and a molecular weight of 1511.59 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;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 Name: 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
• PubChem CID: 158711345
• Molecular Formula: C98H179N11
• Molecular Weight: 1511.59 g/mol
• Exact Mass: 1510.43
• IUPAC Name: 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
• SMILES: C1CC2CCC(C1)N2.C1CC2CCC1CNC2.C1CC2CNC(C1)C2.C1CC2CNCC1C2.C1CCC2NCCCC2C1.C1NC2CC3CC1CC(C3)C2.CC1(C)CC2CC(C)(CN2)C1.CC12CCC(CNC1)C2(C)C.CC12CCCC(NC1)C2(C)C.NC12CC3CC(CC(C3)C1)C2.NC1C2CC3CC(C2)CC1C3
• InChI: InChI=1S/3C10H17N.3C10H19N.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;1-9(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;1-2-6-9-8(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;3*8,11H,4-7H2,1-3H3;8-10H,1-7H2;7-9H,1-6H2;3*6-8H,1-5H2
• InChIKey: IITLETJYYOYKQK-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 160.31 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 11
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1511.59
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	11

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;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 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) 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;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 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?

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;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 C1CC2CCC(C1)N2.C1CC2CCC1CNC2.C1CC2CNC(C1)C2.C1CC2CNCC1C2.C1CCC2NCCCC2C1.C1NC2CC3CC1CC(C3)C2.CC1(C)CC2CC(C)(CN2)C1.CC12CCC(CNC1)C2(C)C.CC12CCCC(NC1)C2(C)C.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;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 IITLETJYYOYKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H17N.3C10H19N.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;1-9(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;1-2-6-9-8(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;3*8,11H,4-7H2,1-3H3;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;1,3,3-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?

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 has a molecular weight of 1511.59 g/mol, XLogP of 18.62, 0 rotatable bonds, 11 hydrogen bond donors, and 11 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;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 158711345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).