ethane;7-methyl-7-azaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.5]nonane;1-propan-2-yl-1,8-diazaspiro[4.5]decane

C32H67N5 — CID 176920985

IUPACethane;7-methyl-7-azaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.5]nonane;1-propan-2-yl-1,8-diazaspiro[4.5]decane
SMILESCC.CC.CC(C)N1CCCC12CCNCC2.CN1CCC2(CCC2)CC1.CN1CCC2(CCN2)CC1
InChIInChI=1S/C11H22N2.C9H17N.C8H16N2.2C2H6/c1-10(2)13-9-3-4-11(13)5-7-12-8-6-11;1-10-7-5-9(6-8-10)3-2-4-9;1-10-6-3-8(4-7-10)2-5-9-8;2*1-2/h10,12H,3-9H2,1-2H3;2-8H2,1H3;9H,2-7H2,1H3;2*1-2H3
InChIKeyXIXKLYMDKRAJRY-UHFFFAOYSA-N
MW521.92 g/mol
LogP5.99
Rot. Bonds1

About ethane;7-methyl-7-azaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.5]nonane;1-propan-2-yl-1,8-diazaspiro[4.5]decane

ethane;7-methyl-7-azaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.5]nonane;1-propan-2-yl-1,8-diazaspiro[4.5]decane (PubChem CID 176920985) has the molecular formula C32H67N5 and a molecular weight of 521.92 g/mol. Its IUPAC name is ethane;7-methyl-7-azaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.5]nonane;1-propan-2-yl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Nameethane;7-methyl-7-azaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.5]nonane;1-propan-2-yl-1,8-diazaspiro[4.5]decane
PubChem CID176920985
Molecular FormulaC32H67N5
Molecular Weight521.92 g/mol
Exact Mass521.54
IUPAC Nameethane;7-methyl-7-azaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.5]nonane;1-propan-2-yl-1,8-diazaspiro[4.5]decane
SMILESCC.CC.CC(C)N1CCCC12CCNCC2.CN1CCC2(CCC2)CC1.CN1CCC2(CCN2)CC1
InChIInChI=1S/C11H22N2.C9H17N.C8H16N2.2C2H6/c1-10(2)13-9-3-4-11(13)5-7-12-8-6-11;1-10-7-5-9(6-8-10)3-2-4-9;1-10-6-3-8(4-7-10)2-5-9-8;2*1-2/h10,12H,3-9H2,1-2H3;2-8H2,1H3;9H,2-7H2,1H3;2*1-2H3
InChIKeyXIXKLYMDKRAJRY-UHFFFAOYSA-N
XLogP5.99
TPSA33.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.92
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethane;7-methyl-7-azaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.5]nonane;1-propan-2-yl-1,8-diazaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-7-azaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.5]nonane;1-propan-2-yl-1,8-diazaspiro[4.5]decane?
The IUPAC name of ethane;7-methyl-7-azaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.5]nonane;1-propan-2-yl-1,8-diazaspiro[4.5]decane (CID 176920985) is ethane;7-methyl-7-azaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.5]nonane;1-propan-2-yl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for ethane;7-methyl-7-azaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.5]nonane;1-propan-2-yl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for ethane;7-methyl-7-azaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.5]nonane;1-propan-2-yl-1,8-diazaspiro[4.5]decane is CC.CC.CC(C)N1CCCC12CCNCC2.CN1CCC2(CCC2)CC1.CN1CCC2(CCN2)CC1.
What is the InChIKey of ethane;7-methyl-7-azaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.5]nonane;1-propan-2-yl-1,8-diazaspiro[4.5]decane?
The InChIKey is XIXKLYMDKRAJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C9H17N.C8H16N2.2C2H6/c1-10(2)13-9-3-4-11(13)5-7-12-8-6-11;1-10-7-5-9(6-8-10)3-2-4-9;1-10-6-3-8(4-7-10)2-5-9-8;2*1-2/h10,12H,3-9H2,1-2H3;2-8H2,1H3;9H,2-7H2,1H3;2*1-2H3.
What are the key properties of ethane;7-methyl-7-azaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.5]nonane;1-propan-2-yl-1,8-diazaspiro[4.5]decane?
ethane;7-methyl-7-azaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.5]nonane;1-propan-2-yl-1,8-diazaspiro[4.5]decane has a molecular weight of 521.92 g/mol, XLogP of 5.99, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-7-azaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.5]nonane;1-propan-2-yl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 176920985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).