2-(3-aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one

C20H33N3O — CID 144998227

IUPAC2-(3-aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
SMILESCN(C)C1(C2=CCCC=C2)CCC2(CC1)CC(=O)N(CCCN)C2
InChIInChI=1S/C20H33N3O/c1-22(2)20(17-7-4-3-5-8-17)11-9-19(10-12-20)15-18(24)23(16-19)14-6-13-21/h4,7-8H,3,5-6,9-16,21H2,1-2H3
InChIKeyDXECVZCMEBQBGU-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.70
Rot. Bonds5

About 2-(3-aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one

2-(3-aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one (PubChem CID 144998227) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 2-(3-aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
PubChem CID144998227
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name2-(3-aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
SMILESCN(C)C1(C2=CCCC=C2)CCC2(CC1)CC(=O)N(CCCN)C2
InChIInChI=1S/C20H33N3O/c1-22(2)20(17-7-4-3-5-8-17)11-9-19(10-12-20)15-18(24)23(16-19)14-6-13-21/h4,7-8H,3,5-6,9-16,21H2,1-2H3
InChIKeyDXECVZCMEBQBGU-UHFFFAOYSA-N
XLogP2.70
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one with MolForge

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Related Compounds

(3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234281
8-Amino-8-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234282
(3R)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234389
8-Amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234391
(3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234401
8-Cyclopent-1-enyl-8-dimethylamino-2-azaspiro[4.5]decan-1-one
CID 118662121
2-cyclohexa-2,4-dien-1-yl-2-cyclohexyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 141193432
tert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen
CID 144998245
8-Cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
CID 144998270
2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide
CID 153333482
5-(Cyclohexa-1,3-dien-1-ylmethyl)-4,4-dimethylpyrrolidin-2-one;ethane;molecular hydrogen
CID 153377335
tert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate
CID 144998246

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one (CID 144998227) is 2-(3-aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one is CN(C)C1(C2=CCCC=C2)CCC2(CC1)CC(=O)N(CCCN)C2.
What is the InChIKey of 2-(3-aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one?
The InChIKey is DXECVZCMEBQBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-22(2)20(17-7-4-3-5-8-17)11-9-19(10-12-20)15-18(24)23(16-19)14-6-13-21/h4,7-8H,3,5-6,9-16,21H2,1-2H3.
What are the key properties of 2-(3-aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one?
2-(3-aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one has a molecular weight of 331.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 144998227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).