3-[1-(dimethylamino)cyclobutyl]prop-2-ynamide

C9H14N2O — CID 166145060

IUPAC3-[1-(dimethylamino)cyclobutyl]prop-2-ynamide
SMILESCN(C)C1(C#CC(N)=O)CCC1
InChIInChI=1S/C9H14N2O/c1-11(2)9(5-3-6-9)7-4-8(10)12/h3,5-6H2,1-2H3,(H2,10,12)
InChIKeyJSRPVZLHQAKTDL-UHFFFAOYSA-N
MW166.22 g/mol
LogP-0.04
Rot. Bonds1

About 3-[1-(dimethylamino)cyclobutyl]prop-2-ynamide

3-[1-(dimethylamino)cyclobutyl]prop-2-ynamide (PubChem CID 166145060) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-[1-(dimethylamino)cyclobutyl]prop-2-ynamide.

Molecular Properties

Compound Name3-[1-(dimethylamino)cyclobutyl]prop-2-ynamide
PubChem CID166145060
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-[1-(dimethylamino)cyclobutyl]prop-2-ynamide
SMILESCN(C)C1(C#CC(N)=O)CCC1
InChIInChI=1S/C9H14N2O/c1-11(2)9(5-3-6-9)7-4-8(10)12/h3,5-6H2,1-2H3,(H2,10,12)
InChIKeyJSRPVZLHQAKTDL-UHFFFAOYSA-N
XLogP-0.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-(dimethylamino)oxolan-2-yl]prop-2-ynamide
CID 156737070
3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide
CID 166144717
3-[(3S)-3-(dimethylamino)oxolan-3-yl]-1-pyrrolidin-1-ylprop-2-yn-1-one
CID 166143998
1-(dimethylamino)cyclooctane-1-carbonitrile
CID 43802603
methyl-(1-methylcyclobutyl)carbamic acid
CID 175139103
N,N-dimethyl-1-(2-phenylethynyl)cyclohexan-1-amine
CID 51370402
2-[1-(dimethylamino)cyclohexyl]acetamide
CID 10845205
N-(1-cyanocyclopentyl)-N-methylacetamide
CID 82125090
N-carbamoyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
CID 78915468
1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide
CID 105418040
1,1-difluorocyclobutane;methylurea;hydrochloride
CID 175158753
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propanamide
CID 105416404

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)cyclobutyl]prop-2-ynamide?
The IUPAC name of 3-[1-(dimethylamino)cyclobutyl]prop-2-ynamide (CID 166145060) is 3-[1-(dimethylamino)cyclobutyl]prop-2-ynamide.
What is the SMILES notation for 3-[1-(dimethylamino)cyclobutyl]prop-2-ynamide?
The canonical SMILES for 3-[1-(dimethylamino)cyclobutyl]prop-2-ynamide is CN(C)C1(C#CC(N)=O)CCC1.
What is the InChIKey of 3-[1-(dimethylamino)cyclobutyl]prop-2-ynamide?
The InChIKey is JSRPVZLHQAKTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11(2)9(5-3-6-9)7-4-8(10)12/h3,5-6H2,1-2H3,(H2,10,12).
What are the key properties of 3-[1-(dimethylamino)cyclobutyl]prop-2-ynamide?
3-[1-(dimethylamino)cyclobutyl]prop-2-ynamide has a molecular weight of 166.22 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)cyclobutyl]prop-2-ynamide is sourced from PubChem (CID 166145060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).