3-(aminomethyl)-3-fluoro-N-propan-2-ylazetidine-1-carboxamide

C8H16FN3O — CID 165487074

IUPAC3-(aminomethyl)-3-fluoro-N-propan-2-ylazetidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(F)(CN)C1
InChIInChI=1S/C8H16FN3O/c1-6(2)11-7(13)12-4-8(9,3-10)5-12/h6H,3-5,10H2,1-2H3,(H,11,13)
InChIKeyZAZBVKKUCGWGBJ-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.09
Rot. Bonds2

About 3-(aminomethyl)-3-fluoro-N-propan-2-ylazetidine-1-carboxamide

3-(aminomethyl)-3-fluoro-N-propan-2-ylazetidine-1-carboxamide (PubChem CID 165487074) has the molecular formula C8H16FN3O and a molecular weight of 189.23 g/mol. Its IUPAC name is 3-(aminomethyl)-3-fluoro-N-propan-2-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-3-fluoro-N-propan-2-ylazetidine-1-carboxamide
PubChem CID165487074
Molecular FormulaC8H16FN3O
Molecular Weight189.23 g/mol
Exact Mass189.13
IUPAC Name3-(aminomethyl)-3-fluoro-N-propan-2-ylazetidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(F)(CN)C1
InChIInChI=1S/C8H16FN3O/c1-6(2)11-7(13)12-4-8(9,3-10)5-12/h6H,3-5,10H2,1-2H3,(H,11,13)
InChIKeyZAZBVKKUCGWGBJ-UHFFFAOYSA-N
XLogP0.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-3-fluoro-N-propan-2-ylazetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propan-2-ylazetidine-1-carboxamide
CID 126972093
N-(tert-butyl)-3,3-difluoroazetidine-1-carboxamide
CID 122269479
3,3-difluoro-N-isopropylazetidine-1-carboxamide
CID 122269482
1-[3-(Dimethylamino)propyl]-3-(2-fluoroethyl)urea
CID 142717407
3,3-difluoro-N-propylazetidine-1-carboxamide;ethane
CID 165138936
3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide
CID 165139077
3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen
CID 165139144
N-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide
CID 167134973
3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 167135157
N-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide
CID 167135164
1-[3-[Methyl(propan-2-yl)amino]propyl]-3-(2,2,2-trifluoroethyl)urea
CID 113224178
1-[4-(Dimethylamino)butan-2-yl]-3-(2,2,2-trifluoroethyl)urea
CID 115596646

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-fluoro-N-propan-2-ylazetidine-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-3-fluoro-N-propan-2-ylazetidine-1-carboxamide (CID 165487074) is 3-(aminomethyl)-3-fluoro-N-propan-2-ylazetidine-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-3-fluoro-N-propan-2-ylazetidine-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-3-fluoro-N-propan-2-ylazetidine-1-carboxamide is CC(C)NC(=O)N1CC(F)(CN)C1.
What is the InChIKey of 3-(aminomethyl)-3-fluoro-N-propan-2-ylazetidine-1-carboxamide?
The InChIKey is ZAZBVKKUCGWGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN3O/c1-6(2)11-7(13)12-4-8(9,3-10)5-12/h6H,3-5,10H2,1-2H3,(H,11,13).
What are the key properties of 3-(aminomethyl)-3-fluoro-N-propan-2-ylazetidine-1-carboxamide?
3-(aminomethyl)-3-fluoro-N-propan-2-ylazetidine-1-carboxamide has a molecular weight of 189.23 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-fluoro-N-propan-2-ylazetidine-1-carboxamide is sourced from PubChem (CID 165487074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).