cyclobutyl-[9-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone

C18H33N3O — CID 97484542

IUPACcyclobutyl-[9-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone
SMILESCN(C)CCN1CCC2(CCCN(C(=O)C3CCC3)C2)CC1
InChIInChI=1S/C18H33N3O/c1-19(2)13-14-20-11-8-18(9-12-20)7-4-10-21(15-18)17(22)16-5-3-6-16/h16H,3-15H2,1-2H3
InChIKeyIUYPKQLEHRJQNO-UHFFFAOYSA-N
MW307.48 g/mol
LogP2.05
Rot. Bonds4

About cyclobutyl-[9-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone

cyclobutyl-[9-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone (PubChem CID 97484542) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is cyclobutyl-[9-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[9-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone
PubChem CID97484542
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Namecyclobutyl-[9-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone
SMILESCN(C)CCN1CCC2(CCCN(C(=O)C3CCC3)C2)CC1
InChIInChI=1S/C18H33N3O/c1-19(2)13-14-20-11-8-18(9-12-20)7-4-10-21(15-18)17(22)16-5-3-6-16/h16H,3-15H2,1-2H3
InChIKeyIUYPKQLEHRJQNO-UHFFFAOYSA-N
XLogP2.05
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[9-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone?
The IUPAC name of cyclobutyl-[9-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone (CID 97484542) is cyclobutyl-[9-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone.
What is the SMILES notation for cyclobutyl-[9-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone?
The canonical SMILES for cyclobutyl-[9-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone is CN(C)CCN1CCC2(CCCN(C(=O)C3CCC3)C2)CC1.
What is the InChIKey of cyclobutyl-[9-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone?
The InChIKey is IUYPKQLEHRJQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-19(2)13-14-20-11-8-18(9-12-20)7-4-10-21(15-18)17(22)16-5-3-6-16/h16H,3-15H2,1-2H3.
What are the key properties of cyclobutyl-[9-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone?
cyclobutyl-[9-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone has a molecular weight of 307.48 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[9-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone is sourced from PubChem (CID 97484542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).