ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane

C17H38N2 — CID 154672647

IUPACethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
SMILESCC.CC.CC(C)N1CCC2(CCCN(C)C2)CC1
InChIInChI=1S/C13H26N2.2C2H6/c1-12(2)15-9-6-13(7-10-15)5-4-8-14(3)11-13;2*1-2/h12H,4-11H2,1-3H3;2*1-2H3
InChIKeyXJMIPNNVHLOCRW-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.26
Rot. Bonds1

About ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane

ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane (PubChem CID 154672647) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Nameethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
PubChem CID154672647
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Nameethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
SMILESCC.CC.CC(C)N1CCC2(CCCN(C)C2)CC1
InChIInChI=1S/C13H26N2.2C2H6/c1-12(2)15-9-6-13(7-10-15)5-4-8-14(3)11-13;2*1-2/h12H,4-11H2,1-3H3;2*1-2H3
InChIKeyXJMIPNNVHLOCRW-UHFFFAOYSA-N
XLogP4.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 177025738
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 145449305
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
ethane;methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane
CID 162125868
2,8-dimethyl-2,8-diazaspiro[4.5]decane;bis(2,9-dimethyl-2,9-diazaspiro[4.5]decane);2,7-dimethyl-2,7-diazaspiro[3.5]nonane;2,9-dimethyl-2,9-diazaspiro[5.5]undecane
CID 161419496
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
7-methyl-2-[5-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-8-yl)hexan-2-yl]-2,7-diazaspiro[4.4]nonane
CID 170050869
2-methyl-2-azaspiro[4.4]nonane
CID 59284550
ethane;9-(2-methoxyethyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 171845221
ethane;8-methyl-2,8-diazaspiro[3.5]nonan-2-amine
CID 169133295
2,6-dimethyl-2-propan-2-yl-6-azaspiro[3.5]nonane
CID 176957514

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane (CID 154672647) is ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane is CC.CC.CC(C)N1CCC2(CCCN(C)C2)CC1.
What is the InChIKey of ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane?
The InChIKey is XJMIPNNVHLOCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.2C2H6/c1-12(2)15-9-6-13(7-10-15)5-4-8-14(3)11-13;2*1-2/h12H,4-11H2,1-3H3;2*1-2H3.
What are the key properties of ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane?
ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane has a molecular weight of 270.50 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 154672647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).