5-[1-(1-methyl-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]-7-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)propyl]-2-oxa-5-azaspiro[3.4]octane

C27H47N3O2 — CID 166955916

IUPAC5-[1-(1-methyl-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]-7-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)propyl]-2-oxa-5-azaspiro[3.4]octane
SMILESCC(CC1CN(C(C)CC2CN(C)C3(CCCC3)C2)C2(COC2)C1)N1CCC2(COC2)C1
InChIInChI=1S/C27H47N3O2/c1-21(29-9-8-25(16-29)17-31-18-25)10-24-13-27(19-32-20-27)30(15-24)22(2)11-23-12-26(28(3)14-23)6-4-5-7-26/h21-24H,4-20H2,1-3H3
InChIKeyCMWNOUJBUJZMJA-UHFFFAOYSA-N
MW445.69 g/mol
LogP3.62
Rot. Bonds6

About 5-[1-(1-methyl-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]-7-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)propyl]-2-oxa-5-azaspiro[3.4]octane

5-[1-(1-methyl-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]-7-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)propyl]-2-oxa-5-azaspiro[3.4]octane (PubChem CID 166955916) has the molecular formula C27H47N3O2 and a molecular weight of 445.69 g/mol. Its IUPAC name is 5-[1-(1-methyl-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]-7-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)propyl]-2-oxa-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name5-[1-(1-methyl-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]-7-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)propyl]-2-oxa-5-azaspiro[3.4]octane
PubChem CID166955916
Molecular FormulaC27H47N3O2
Molecular Weight445.69 g/mol
Exact Mass445.37
IUPAC Name5-[1-(1-methyl-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]-7-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)propyl]-2-oxa-5-azaspiro[3.4]octane
SMILESCC(CC1CN(C(C)CC2CN(C)C3(CCCC3)C2)C2(COC2)C1)N1CCC2(COC2)C1
InChIInChI=1S/C27H47N3O2/c1-21(29-9-8-25(16-29)17-31-18-25)10-24-13-27(19-32-20-27)30(15-24)22(2)11-23-12-26(28(3)14-23)6-4-5-7-26/h21-24H,4-20H2,1-3H3
InChIKeyCMWNOUJBUJZMJA-UHFFFAOYSA-N
XLogP3.62
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.69
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[1-(1-methyl-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]-7-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)propyl]-2-oxa-5-azaspiro[3.4]octane with MolForge

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Launch Full Analysis

Related Compounds

ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 158223756
2-[1-(9-propan-2-yl-9-azabicyclo[5.3.1]undecan-3-yl)propan-2-yl]-8-oxa-2-azaspiro[4.5]decane
CID 155095682
7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 130621433
ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 167593121
2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane
CID 170709269
8-(disulfanylmethyl)-5-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane
CID 167242816
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549
2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane
CID 171071187
9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane
CID 166858231
4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide
CID 156566263
7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 90348092
2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane
CID 170581950

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-methyl-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]-7-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)propyl]-2-oxa-5-azaspiro[3.4]octane?
The IUPAC name of 5-[1-(1-methyl-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]-7-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)propyl]-2-oxa-5-azaspiro[3.4]octane (CID 166955916) is 5-[1-(1-methyl-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]-7-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)propyl]-2-oxa-5-azaspiro[3.4]octane.
What is the SMILES notation for 5-[1-(1-methyl-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]-7-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)propyl]-2-oxa-5-azaspiro[3.4]octane?
The canonical SMILES for 5-[1-(1-methyl-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]-7-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)propyl]-2-oxa-5-azaspiro[3.4]octane is CC(CC1CN(C(C)CC2CN(C)C3(CCCC3)C2)C2(COC2)C1)N1CCC2(COC2)C1.
What is the InChIKey of 5-[1-(1-methyl-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]-7-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)propyl]-2-oxa-5-azaspiro[3.4]octane?
The InChIKey is CMWNOUJBUJZMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47N3O2/c1-21(29-9-8-25(16-29)17-31-18-25)10-24-13-27(19-32-20-27)30(15-24)22(2)11-23-12-26(28(3)14-23)6-4-5-7-26/h21-24H,4-20H2,1-3H3.
What are the key properties of 5-[1-(1-methyl-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]-7-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)propyl]-2-oxa-5-azaspiro[3.4]octane?
5-[1-(1-methyl-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]-7-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)propyl]-2-oxa-5-azaspiro[3.4]octane has a molecular weight of 445.69 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-methyl-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]-7-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)propyl]-2-oxa-5-azaspiro[3.4]octane is sourced from PubChem (CID 166955916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).