2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane

C28H56N6 — CID 161479355

IUPAC2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane
SMILESCC(C)N1CC2(CNC2)C1.CC(C)N1CCC2(CCCN2)C1.CC(C)N1CCC2(CCNC2)C1
InChIInChI=1S/2C10H20N2.C8H16N2/c1-9(2)12-6-4-10(8-12)3-5-11-7-10;1-9(2)12-7-5-10(8-12)4-3-6-11-10;1-7(2)10-5-8(6-10)3-9-4-8/h2*9,11H,3-8H2,1-2H3;7,9H,3-6H2,1-2H3
InChIKeyWEDNTTDSNFODMB-UHFFFAOYSA-N
MW476.80 g/mol
LogP2.60
Rot. Bonds3

About 2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane

2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane (PubChem CID 161479355) has the molecular formula C28H56N6 and a molecular weight of 476.80 g/mol. Its IUPAC name is 2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane
PubChem CID161479355
Molecular FormulaC28H56N6
Molecular Weight476.80 g/mol
Exact Mass476.46
IUPAC Name2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane
SMILESCC(C)N1CC2(CNC2)C1.CC(C)N1CCC2(CCCN2)C1.CC(C)N1CCC2(CCNC2)C1
InChIInChI=1S/2C10H20N2.C8H16N2/c1-9(2)12-6-4-10(8-12)3-5-11-7-10;1-9(2)12-7-5-10(8-12)4-3-6-11-10;1-7(2)10-5-8(6-10)3-9-4-8/h2*9,11H,3-8H2,1-2H3;7,9H,3-6H2,1-2H3
InChIKeyWEDNTTDSNFODMB-UHFFFAOYSA-N
XLogP2.60
TPSA45.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.80
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane (CID 161479355) is 2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane is CC(C)N1CC2(CNC2)C1.CC(C)N1CCC2(CCCN2)C1.CC(C)N1CCC2(CCNC2)C1.
What is the InChIKey of 2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane?
The InChIKey is WEDNTTDSNFODMB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20N2.C8H16N2/c1-9(2)12-6-4-10(8-12)3-5-11-7-10;1-9(2)12-7-5-10(8-12)4-3-6-11-10;1-7(2)10-5-8(6-10)3-9-4-8/h2*9,11H,3-8H2,1-2H3;7,9H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane?
2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane has a molecular weight of 476.80 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 161479355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).