1-(7-cyclopropyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-one;ethane

C14H26N2O — CID 170592365

IUPAC1-(7-cyclopropyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-one;ethane
SMILESCC.CCC(=O)N1CC2(CCN(C3CC3)C2)C1
InChIInChI=1S/C12H20N2O.C2H6/c1-2-11(15)14-8-12(9-14)5-6-13(7-12)10-3-4-10;1-2/h10H,2-9H2,1H3;1-2H3
InChIKeyDBMWQQCQDLSLGZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.12
Rot. Bonds2

About 1-(7-cyclopropyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-one;ethane

1-(7-cyclopropyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-one;ethane (PubChem CID 170592365) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(7-cyclopropyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-one;ethane.

Molecular Properties

Compound Name1-(7-cyclopropyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-one;ethane
PubChem CID170592365
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(7-cyclopropyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-one;ethane
SMILESCC.CCC(=O)N1CC2(CCN(C3CC3)C2)C1
InChIInChI=1S/C12H20N2O.C2H6/c1-2-11(15)14-8-12(9-14)5-6-13(7-12)10-3-4-10;1-2/h10H,2-9H2,1H3;1-2H3
InChIKeyDBMWQQCQDLSLGZ-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[7-(oxetan-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one
CID 170412031
tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746
1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane
CID 170592194
ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
CID 176968057
2-cyclopropyl-7-ethyl-2,7-diazaspiro[4.4]nonane
CID 145006598
1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 113073042
2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 97392926
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 145216334
1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one
CID 97095137
1-(3,3-difluoropiperidin-1-yl)propan-1-one
CID 89382158
1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one
CID 170184671

Frequently Asked Questions

What is the IUPAC name of 1-(7-cyclopropyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-one;ethane?
The IUPAC name of 1-(7-cyclopropyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-one;ethane (CID 170592365) is 1-(7-cyclopropyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-one;ethane.
What is the SMILES notation for 1-(7-cyclopropyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-one;ethane?
The canonical SMILES for 1-(7-cyclopropyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-one;ethane is CC.CCC(=O)N1CC2(CCN(C3CC3)C2)C1.
What is the InChIKey of 1-(7-cyclopropyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-one;ethane?
The InChIKey is DBMWQQCQDLSLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.C2H6/c1-2-11(15)14-8-12(9-14)5-6-13(7-12)10-3-4-10;1-2/h10H,2-9H2,1H3;1-2H3.
What are the key properties of 1-(7-cyclopropyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-one;ethane?
1-(7-cyclopropyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-one;ethane has a molecular weight of 238.37 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-cyclopropyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-one;ethane is sourced from PubChem (CID 170592365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).