2-(3-aminopropyl)-8,8-dipropyl-2-azaspiro[4.5]decane-7,9-dione

C18H32N2O2 — CID 139818616

IUPAC2-(3-aminopropyl)-8,8-dipropyl-2-azaspiro[4.5]decane-7,9-dione
SMILESCCCC1(CCC)C(=O)CC2(CCN(CCCN)C2)CC1=O
InChIInChI=1S/C18H32N2O2/c1-3-6-18(7-4-2)15(21)12-17(13-16(18)22)8-11-20(14-17)10-5-9-19/h3-14,19H2,1-2H3
InChIKeyQAHCGQATNMOYLZ-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.55
Rot. Bonds7

About 2-(3-aminopropyl)-8,8-dipropyl-2-azaspiro[4.5]decane-7,9-dione

2-(3-aminopropyl)-8,8-dipropyl-2-azaspiro[4.5]decane-7,9-dione (PubChem CID 139818616) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-(3-aminopropyl)-8,8-dipropyl-2-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name2-(3-aminopropyl)-8,8-dipropyl-2-azaspiro[4.5]decane-7,9-dione
PubChem CID139818616
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2-(3-aminopropyl)-8,8-dipropyl-2-azaspiro[4.5]decane-7,9-dione
SMILESCCCC1(CCC)C(=O)CC2(CCN(CCCN)C2)CC1=O
InChIInChI=1S/C18H32N2O2/c1-3-6-18(7-4-2)15(21)12-17(13-16(18)22)8-11-20(14-17)10-5-9-19/h3-14,19H2,1-2H3
InChIKeyQAHCGQATNMOYLZ-UHFFFAOYSA-N
XLogP2.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[3-(dimethylamino)propyl]-8-propyl-2-azaspiro[4.5]decane-7,9-dione
CID 139818604
2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane
CID 156829992
3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride
CID 115020907
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
3-(10,10-dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine
CID 13285229
3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine
CID 19079346
1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane
CID 170592194
ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane
CID 171554465
3-amino-1-octylpyrrolidine-3-carboxylic acid
CID 107321089
1-hept-6-enyl-3-propylpyrrolidine-3-carboxylic acid
CID 107007842
3-(2-aminoethyl)-1-propylpyrrolidin-3-ol
CID 83914587
5-butyl-5-azaspiro[2.5]octane
CID 130224729

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-8,8-dipropyl-2-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 2-(3-aminopropyl)-8,8-dipropyl-2-azaspiro[4.5]decane-7,9-dione (CID 139818616) is 2-(3-aminopropyl)-8,8-dipropyl-2-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 2-(3-aminopropyl)-8,8-dipropyl-2-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 2-(3-aminopropyl)-8,8-dipropyl-2-azaspiro[4.5]decane-7,9-dione is CCCC1(CCC)C(=O)CC2(CCN(CCCN)C2)CC1=O.
What is the InChIKey of 2-(3-aminopropyl)-8,8-dipropyl-2-azaspiro[4.5]decane-7,9-dione?
The InChIKey is QAHCGQATNMOYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-3-6-18(7-4-2)15(21)12-17(13-16(18)22)8-11-20(14-17)10-5-9-19/h3-14,19H2,1-2H3.
What are the key properties of 2-(3-aminopropyl)-8,8-dipropyl-2-azaspiro[4.5]decane-7,9-dione?
2-(3-aminopropyl)-8,8-dipropyl-2-azaspiro[4.5]decane-7,9-dione has a molecular weight of 308.47 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-8,8-dipropyl-2-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 139818616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).