ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone

C16H32N2O — CID 155751989

IUPACethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
SMILESCC.CCCN1CCC2(CC1)CCN(C(C)=O)CC2
InChIInChI=1S/C14H26N2O.C2H6/c1-3-8-15-9-4-14(5-10-15)6-11-16(12-7-14)13(2)17;1-2/h3-12H2,1-2H3;1-2H3
InChIKeyYFCBIABSEBUIOW-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.15
Rot. Bonds2

About ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone

ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone (PubChem CID 155751989) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
PubChem CID155751989
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Nameethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
SMILESCC.CCCN1CCC2(CC1)CCN(C(C)=O)CC2
InChIInChI=1S/C14H26N2O.C2H6/c1-3-8-15-9-4-14(5-10-15)6-11-16(12-7-14)13(2)17;1-2/h3-12H2,1-2H3;1-2H3
InChIKeyYFCBIABSEBUIOW-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(7-propyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone
CID 176558517
ethane;7-propyl-7-azaspiro[3.5]nonane
CID 176563590
1-[9-[4-(4-methylpiperidin-1-yl)butyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
CID 174255098
1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 155455482
1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 168923326
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl) hydrogen carbonate
CID 68898383
4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one
CID 170065017
4-(8-azaspiro[4.5]decan-8-yl)butan-2-one
CID 63158919
1-(4,4-dimethylpiperidin-1-yl)ethanone;propane
CID 166079085
ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 143370100
ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369

Frequently Asked Questions

What is the IUPAC name of ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The IUPAC name of ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone (CID 155751989) is ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone.
What is the SMILES notation for ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The canonical SMILES for ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone is CC.CCCN1CCC2(CC1)CCN(C(C)=O)CC2.
What is the InChIKey of ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The InChIKey is YFCBIABSEBUIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.C2H6/c1-3-8-15-9-4-14(5-10-15)6-11-16(12-7-14)13(2)17;1-2/h3-12H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone has a molecular weight of 268.44 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone is sourced from PubChem (CID 155751989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).