ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane

C13H28N2 — CID 145449305

IUPACethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
SMILESCC.CC(C)N1CCC2(CCN(C)C2)C1
InChIInChI=1S/C11H22N2.C2H6/c1-10(2)13-7-5-11(9-13)4-6-12(3)8-11;1-2/h10H,4-9H2,1-3H3;1-2H3
InChIKeyWFRHCBRQGIYWJL-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.45
Rot. Bonds1

About ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane

ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane (PubChem CID 145449305) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Nameethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
PubChem CID145449305
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Nameethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
SMILESCC.CC(C)N1CCC2(CCN(C)C2)C1
InChIInChI=1S/C11H22N2.C2H6/c1-10(2)13-7-5-11(9-13)4-6-12(3)8-11;1-2/h10H,4-9H2,1-3H3;1-2H3
InChIKeyWFRHCBRQGIYWJL-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine
CID 162982738
1-Methyl-2-(1-methylpyrrolidin-3-yl)pyrrolidine
CID 58400596
2-(2-Fluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonane
CID 131107520
7-(2-Fluoroethyl)-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 135209730
N-[2-[1-(2-fluoroethyl)-3-methylpyrrolidin-3-yl]ethyl]-N-methylpropan-2-amine
CID 145230288
3-[(3-Fluoropyrrolidin-1-yl)methyl]-1,2-dimethylpyrrolidine
CID 162741953
4,4-Difluoro-2,7-dimethyl-2,7-diazaspiro[4.4]nonane
CID 176992843
9,9-Difluoro-7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 176992884
7-Ethyl-2-fluoro-2,7-diazaspiro[4.4]nonane
CID 176994677
3-(3-Fluoropyrrolidin-1-yl)-6-propan-2-yl-6-azaspiro[3.4]octane
CID 177005747
6-Ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane
CID 177005819
2-Ethyl-9-fluoro-7,9-dimethyl-2,7-diazaspiro[4.4]nonane
CID 177319583

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane (CID 145449305) is ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane is CC.CC(C)N1CCC2(CCN(C)C2)C1.
What is the InChIKey of ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
The InChIKey is WFRHCBRQGIYWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C2H6/c1-10(2)13-7-5-11(9-13)4-6-12(3)8-11;1-2/h10H,4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane has a molecular weight of 212.38 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 145449305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).