4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride

C14H29Cl2N3O — CID 119899862

IUPAC4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride
SMILESCN1CCN(C(=O)CCCN)C2(CCCCC2)C1.Cl.Cl
InChIInChI=1S/C14H27N3O.2ClH/c1-16-10-11-17(13(18)6-5-9-15)14(12-16)7-3-2-4-8-14;;/h2-12,15H2,1H3;2*1H
InChIKeyQSVFEPUMTJGSHT-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.05
Rot. Bonds3

About 4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride

4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride (PubChem CID 119899862) has the molecular formula C14H29Cl2N3O and a molecular weight of 326.31 g/mol. Its IUPAC name is 4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride
PubChem CID119899862
Molecular FormulaC14H29Cl2N3O
Molecular Weight326.31 g/mol
Exact Mass325.17
IUPAC Name4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride
SMILESCN1CCN(C(=O)CCCN)C2(CCCCC2)C1.Cl.Cl
InChIInChI=1S/C14H27N3O.2ClH/c1-16-10-11-17(13(18)6-5-9-15)14(12-16)7-3-2-4-8-14;;/h2-12,15H2,1H3;2*1H
InChIKeyQSVFEPUMTJGSHT-UHFFFAOYSA-N
XLogP2.05
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride
CID 119899820
2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one
CID 119899825
[4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone
CID 119899839
N-ethyl-9-methyl-6,9-diazaspiro[4.5]decane-6-carboxamide
CID 71801371
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride
CID 119899850
(3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride
CID 119899828
1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid
CID 113430942
(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone
CID 119899813
4-amino-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
CID 107392361
1-(4-aminobutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144724
3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
CID 130674066
4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one
CID 119328278

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride?
The IUPAC name of 4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride (CID 119899862) is 4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride?
The canonical SMILES for 4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride is CN1CCN(C(=O)CCCN)C2(CCCCC2)C1.Cl.Cl.
What is the InChIKey of 4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride?
The InChIKey is QSVFEPUMTJGSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.2ClH/c1-16-10-11-17(13(18)6-5-9-15)14(12-16)7-3-2-4-8-14;;/h2-12,15H2,1H3;2*1H.
What are the key properties of 4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride?
4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride has a molecular weight of 326.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride is sourced from PubChem (CID 119899862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).