2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)

C51H101N7 — CID 159565538

About 2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)

2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane) (PubChem CID 159565538) has the molecular formula C51H101N7 and a molecular weight of 812.42 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane).

Molecular Properties

• Compound Name: 2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)
• PubChem CID: 159565538
• Molecular Formula: C51H101N7
• Molecular Weight: 812.42 g/mol
• Exact Mass: 811.81
• IUPAC Name: 2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)
• SMILES: CC(C)C1CC2(CCN(C(C)C)CC2)C1.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2
• InChI: InChI=1S/C14H27N.C13H26N2.2C12H24N2/c1-11(2)13-9-14(10-13)5-7-15(8-6-14)12(3)4;1-11(2)14-7-5-13(6-8-14)9-15(10-13)12(3)4;2*1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4/h11-13H,5-10H2,1-4H3;11-12H,5-10H2,1-4H3;2*10-11H,5-9H2,1-4H3
• InChIKey: MHDNTJGWUTUHAW-UHFFFAOYSA-N
• XLogP: 9.37
• TPSA: 22.68 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.42
LogP ≤ 5	9.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)?

The IUPAC name of 2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane) (CID 159565538) is 2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane).

What is the SMILES notation for 2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)?

The canonical SMILES for 2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane) is CC(C)C1CC2(CCN(C(C)C)CC2)C1.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.

What is the InChIKey of 2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)?

The InChIKey is MHDNTJGWUTUHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N.C13H26N2.2C12H24N2/c1-11(2)13-9-14(10-13)5-7-15(8-6-14)12(3)4;1-11(2)14-7-5-13(6-8-14)9-15(10-13)12(3)4;2*1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4/h11-13H,5-10H2,1-4H3;11-12H,5-10H2,1-4H3;2*10-11H,5-9H2,1-4H3.

What are the key properties of 2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)?

2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane) has a molecular weight of 812.42 g/mol, XLogP of 9.37, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane) is sourced from PubChem (CID 159565538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).