[(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone

C20H37N3O — CID 170185294

IUPAC[(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone
SMILESCCN1C[C@@H](C(=O)N2CC3(CCN(CC(C)C)CC3)C2)C(C)(C)C1
InChIInChI=1S/C20H37N3O/c1-6-21-12-17(19(4,5)13-21)18(24)23-14-20(15-23)7-9-22(10-8-20)11-16(2)3/h16-17H,6-15H2,1-5H3/t17-/m0/s1
InChIKeyWLPCWLXFGWSCDX-KRWDZBQOSA-N
MW335.54 g/mol
LogP2.54
Rot. Bonds4

About [(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone

[(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone (PubChem CID 170185294) has the molecular formula C20H37N3O and a molecular weight of 335.54 g/mol. Its IUPAC name is [(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name[(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone
PubChem CID170185294
Molecular FormulaC20H37N3O
Molecular Weight335.54 g/mol
Exact Mass335.29
IUPAC Name[(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone
SMILESCCN1C[C@@H](C(=O)N2CC3(CCN(CC(C)C)CC3)C2)C(C)(C)C1
InChIInChI=1S/C20H37N3O/c1-6-21-12-17(19(4,5)13-21)18(24)23-14-20(15-23)7-9-22(10-8-20)11-16(2)3/h16-17H,6-15H2,1-5H3/t17-/m0/s1
InChIKeyWLPCWLXFGWSCDX-KRWDZBQOSA-N
XLogP2.54
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 156795215
1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone
CID 155404886
[(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166948270
ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 155707184
(1-propan-2-ylazetidin-3-yl)-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 170185292
2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane
CID 129193421
1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone
CID 164556916
1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 155579599
4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one
CID 166800698
3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156860444
1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone
CID 166733131
1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one
CID 156795061

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of [(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone (CID 170185294) is [(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for [(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for [(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone is CCN1C[C@@H](C(=O)N2CC3(CCN(CC(C)C)CC3)C2)C(C)(C)C1.
What is the InChIKey of [(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is WLPCWLXFGWSCDX-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H37N3O/c1-6-21-12-17(19(4,5)13-21)18(24)23-14-20(15-23)7-9-22(10-8-20)11-16(2)3/h16-17H,6-15H2,1-5H3/t17-/m0/s1.
What are the key properties of [(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
[(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 335.54 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 170185294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).