4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one

C14H27N3O — CID 166169448

IUPAC4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one
SMILESCC(N)CCC(=O)N1CCCC2(CCNCC2)C1
InChIInChI=1S/C14H27N3O/c1-12(15)3-4-13(18)17-10-2-5-14(11-17)6-8-16-9-7-14/h12,16H,2-11,15H2,1H3
InChIKeyXCNPWTXUSWZJLA-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.11
Rot. Bonds3

About 4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one

4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one (PubChem CID 166169448) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one
PubChem CID166169448
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one
SMILESCC(N)CCC(=O)N1CCCC2(CCNCC2)C1
InChIInChI=1S/C14H27N3O/c1-12(15)3-4-13(18)17-10-2-5-14(11-17)6-8-16-9-7-14/h12,16H,2-11,15H2,1H3
InChIKeyXCNPWTXUSWZJLA-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one
CID 116991427
2,9-diazaspiro[5.5]undecane-2-carboxylic acid
CID 68609636
4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one
CID 120563784
5-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 82848388
1-(5-azaspiro[2.5]octan-5-yl)butan-1-one
CID 130890888
1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one
CID 166169822
5-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 82852237
6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane
CID 178063045
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
CID 82038247
3-amino-1-(2-oxa-8-azaspiro[5.5]undecan-8-yl)butan-1-one;hydrochloride
CID 119801721
1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride
CID 154907984
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one
CID 82038245

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one (CID 166169448) is 4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one is CC(N)CCC(=O)N1CCCC2(CCNCC2)C1.
What is the InChIKey of 4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one?
The InChIKey is XCNPWTXUSWZJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(15)3-4-13(18)17-10-2-5-14(11-17)6-8-16-9-7-14/h12,16H,2-11,15H2,1H3.
What are the key properties of 4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one?
4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one has a molecular weight of 253.39 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one is sourced from PubChem (CID 166169448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).