[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylcyclohexyl)methanone

C20H37N3O — CID 131686362

IUPAC[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCC3(CCCN3CCN(C)C)CC2)CC1
InChIInChI=1S/C20H37N3O/c1-17-5-7-18(8-6-17)19(24)22-13-10-20(11-14-22)9-4-12-23(20)16-15-21(2)3/h17-18H,4-16H2,1-3H3
InChIKeyCOSRYTGKFLYTIS-UHFFFAOYSA-N
MW335.54 g/mol
LogP2.83
Rot. Bonds4

About [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylcyclohexyl)methanone

[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylcyclohexyl)methanone (PubChem CID 131686362) has the molecular formula C20H37N3O and a molecular weight of 335.54 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylcyclohexyl)methanone
PubChem CID131686362
Molecular FormulaC20H37N3O
Molecular Weight335.54 g/mol
Exact Mass335.29
IUPAC Name[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCC3(CCCN3CCN(C)C)CC2)CC1
InChIInChI=1S/C20H37N3O/c1-17-5-7-18(8-6-17)19(24)22-13-10-20(11-14-22)9-4-12-23(20)16-15-21(2)3/h17-18H,4-16H2,1-3H3
InChIKeyCOSRYTGKFLYTIS-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone
CID 134070329
2-[8-(cyclopentanecarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
CID 97409289
[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone
CID 131687415
cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 113073602
cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97396970
(4-methylcyclohexyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
CID 131686525
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
[4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 81468169
cyclopentyl-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 131660587
(4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 155871707
cyclopropyl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60763903
(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone
CID 97399383

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylcyclohexyl)methanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylcyclohexyl)methanone (CID 131686362) is [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylcyclohexyl)methanone.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylcyclohexyl)methanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)N2CCC3(CCCN3CCN(C)C)CC2)CC1.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylcyclohexyl)methanone?
The InChIKey is COSRYTGKFLYTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O/c1-17-5-7-18(8-6-17)19(24)22-13-10-20(11-14-22)9-4-12-23(20)16-15-21(2)3/h17-18H,4-16H2,1-3H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylcyclohexyl)methanone?
[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylcyclohexyl)methanone has a molecular weight of 335.54 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 131686362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).