1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane

C16H32N2O — CID 170584310

IUPAC1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane
SMILESCC.CCCCN1CC2(CCN(C(=O)CC)CC2)C1
InChIInChI=1S/C14H26N2O.C2H6/c1-3-5-8-15-11-14(12-15)6-9-16(10-7-14)13(17)4-2;1-2/h3-12H2,1-2H3;1-2H3
InChIKeyLTBNBUSMSQSQBW-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.15
Rot. Bonds4

About 1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane

1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane (PubChem CID 170584310) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane.

Molecular Properties

Compound Name1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane
PubChem CID170584310
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane
SMILESCC.CCCCN1CC2(CCN(C(=O)CC)CC2)C1
InChIInChI=1S/C14H26N2O.C2H6/c1-3-5-8-15-11-14(12-15)6-9-16(10-7-14)13(17)4-2;1-2/h3-12H2,1-2H3;1-2H3
InChIKeyLTBNBUSMSQSQBW-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one
CID 176934433
1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 155455482
1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one
CID 170184671
2-butyl-2-azaspiro[3.3]heptane
CID 170365296
ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane
CID 171554465
ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 155707184
1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane
CID 170592194
2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane
CID 156829992
ethane;1-(7-propyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone
CID 176558517
2-methyl-1-[2-(4-methylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one
CID 170007008
ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
2-methyl-1-[2-(4-methyloctyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one
CID 166679050

Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane?
The IUPAC name of 1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane (CID 170584310) is 1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane.
What is the SMILES notation for 1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane?
The canonical SMILES for 1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane is CC.CCCCN1CC2(CCN(C(=O)CC)CC2)C1.
What is the InChIKey of 1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane?
The InChIKey is LTBNBUSMSQSQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.C2H6/c1-3-5-8-15-11-14(12-15)6-9-16(10-7-14)13(17)4-2;1-2/h3-12H2,1-2H3;1-2H3.
What are the key properties of 1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane?
1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane has a molecular weight of 268.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane is sourced from PubChem (CID 170584310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).