ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium

C19H34N2O2Y — CID 176684065

IUPACethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium
SMILESCC.CC(=O)C1CCC(C(=O)N2CC3(CCN(C)CC3)C2)CC1.[Y]
InChIInChI=1S/C17H28N2O2.C2H6.Y/c1-13(20)14-3-5-15(6-4-14)16(21)19-11-17(12-19)7-9-18(2)10-8-17;1-2;/h14-15H,3-12H2,1-2H3;1-2H3;
InChIKeyJDFCVPCBWSCQIO-UHFFFAOYSA-N
MW411.40 g/mol
LogP2.96
Rot. Bonds2

About ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium

ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium (PubChem CID 176684065) has the molecular formula C19H34N2O2Y and a molecular weight of 411.40 g/mol. Its IUPAC name is ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium.

Molecular Properties

Compound Nameethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium
PubChem CID176684065
Molecular FormulaC19H34N2O2Y
Molecular Weight411.40 g/mol
Exact Mass411.17
IUPAC Nameethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium
SMILESCC.CC(=O)C1CCC(C(=O)N2CC3(CCN(C)CC3)C2)CC1.[Y]
InChIInChI=1S/C17H28N2O2.C2H6.Y/c1-13(20)14-3-5-15(6-4-14)16(21)19-11-17(12-19)7-9-18(2)10-8-17;1-2;/h14-15H,3-12H2,1-2H3;1-2H3;
InChIKeyJDFCVPCBWSCQIO-UHFFFAOYSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 126759987
ethane;1-[4-[4-[(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683765
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895
(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpiperidin-4-yl)methanone
CID 156836980
1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683548
1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone
CID 168882358
1-(2-methyl-2-azaspiro[3.5]nonan-7-yl)ethanone
CID 154988241
azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane
CID 145047717
azetidin-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 50951587
ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 169258026
ethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone
CID 168882155
1-(1-methylpiperidin-4-yl)ethanone;hydrochloride
CID 86346241

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium?
The IUPAC name of ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium (CID 176684065) is ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium.
What is the SMILES notation for ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium?
The canonical SMILES for ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium is CC.CC(=O)C1CCC(C(=O)N2CC3(CCN(C)CC3)C2)CC1.[Y].
What is the InChIKey of ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium?
The InChIKey is JDFCVPCBWSCQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.C2H6.Y/c1-13(20)14-3-5-15(6-4-14)16(21)19-11-17(12-19)7-9-18(2)10-8-17;1-2;/h14-15H,3-12H2,1-2H3;1-2H3;.
What are the key properties of ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium?
ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium has a molecular weight of 411.40 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium is sourced from PubChem (CID 176684065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).