4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide

C17H33N3O — CID 66428881

IUPAC4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C17H33N3O/c1-2-10-19-16(21)13-15(14-18)20-11-8-17(9-12-20)6-4-3-5-7-17/h15H,2-14,18H2,1H3,(H,19,21)
InChIKeyKTCGGNFNBBWLFF-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.28
Rot. Bonds6

About 4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide

4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide (PubChem CID 66428881) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide
PubChem CID66428881
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C17H33N3O/c1-2-10-19-16(21)13-15(14-18)20-11-8-17(9-12-20)6-4-3-5-7-17/h15H,2-14,18H2,1H3,(H,19,21)
InChIKeyKTCGGNFNBBWLFF-UHFFFAOYSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide
CID 66426330
4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide
CID 66427408
4-amino-3-(3-azaspiro[5.5]undecan-3-yl)butanamide
CID 66427333
4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide
CID 66428450
4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427409
4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide
CID 66428883
4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide
CID 102965045
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-amino-N-propylbutanamide
CID 82747117
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide
CID 66429305
4-amino-N-propyl-3-(2-propylpiperidin-1-yl)butanamide
CID 83053457
4-amino-3-(2,4-dimethylpiperazin-1-yl)-N-propylbutanamide
CID 114086546
4-amino-3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methylbutanamide
CID 107454308

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide?
The IUPAC name of 4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide (CID 66428881) is 4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide?
The canonical SMILES for 4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide is CCCNC(=O)CC(CN)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide?
The InChIKey is KTCGGNFNBBWLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-2-10-19-16(21)13-15(14-18)20-11-8-17(9-12-20)6-4-3-5-7-17/h15H,2-14,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide?
4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide has a molecular weight of 295.47 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide is sourced from PubChem (CID 66428881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).