2-[3-(dimethylamino)propyl]-8-propyl-2-azaspiro[4.5]decane-7,9-dione

C17H30N2O2 — CID 139818604

IUPAC2-[3-(dimethylamino)propyl]-8-propyl-2-azaspiro[4.5]decane-7,9-dione
SMILESCCCC1C(=O)CC2(CCN(CCCN(C)C)C2)CC1=O
InChIInChI=1S/C17H30N2O2/c1-4-6-14-15(20)11-17(12-16(14)21)7-10-19(13-17)9-5-8-18(2)3/h14H,4-13H2,1-3H3
InChIKeyINIHEWREKDXJFM-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.98
Rot. Bonds6

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

2-[3-(dimethylamino)propyl]-8-propyl-2-azaspiro[4.5]decane-7,9-dione (PubChem CID 139818604) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-8-propyl-2-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-8-propyl-2-azaspiro[4.5]decane-7,9-dione
PubChem CID139818604
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-[3-(dimethylamino)propyl]-8-propyl-2-azaspiro[4.5]decane-7,9-dione
SMILESCCCC1C(=O)CC2(CCN(CCCN(C)C)C2)CC1=O
InChIInChI=1S/C17H30N2O2/c1-4-6-14-15(20)11-17(12-16(14)21)7-10-19(13-17)9-5-8-18(2)3/h14H,4-13H2,1-3H3
InChIKeyINIHEWREKDXJFM-UHFFFAOYSA-N
XLogP1.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(8,8-dibutyl-2-aza-8-germaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine
CID 13089386
N,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride
CID 131886647
3-(8-azaspiro[4.5]decan-8-yl)-N,N-dimethylpropan-1-amine
CID 129349796
3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine
CID 117007579
2-butyl-8-(cyclopentylmethyl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
CID 118662024
3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine
CID 134842907
2-(3-aminopropyl)-8,8-dipropyl-2-azaspiro[4.5]decane-7,9-dione
CID 139818616
2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane
CID 156829992
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid
CID 117024633
(3R)-8-[3-(dimethylamino)propyl]-3-methyl-8-azaspiro[4.5]decane-7,9-dione
CID 125495895
3-(3-cyclopropyl-3-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64924654

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-8-propyl-2-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 2-[3-(dimethylamino)propyl]-8-propyl-2-azaspiro[4.5]decane-7,9-dione (CID 139818604) is 2-[3-(dimethylamino)propyl]-8-propyl-2-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-8-propyl-2-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-8-propyl-2-azaspiro[4.5]decane-7,9-dione is CCCC1C(=O)CC2(CCN(CCCN(C)C)C2)CC1=O.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-8-propyl-2-azaspiro[4.5]decane-7,9-dione?
The InChIKey is INIHEWREKDXJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-6-14-15(20)11-17(12-16(14)21)7-10-19(13-17)9-5-8-18(2)3/h14H,4-13H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-8-propyl-2-azaspiro[4.5]decane-7,9-dione?
2-[3-(dimethylamino)propyl]-8-propyl-2-azaspiro[4.5]decane-7,9-dione has a molecular weight of 294.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-8-propyl-2-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 139818604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).