2-(azetidin-1-ylmethyl)-N-tert-butylprop-2-enamide

C11H20N2O — CID 134166394

IUPAC2-(azetidin-1-ylmethyl)-N-tert-butylprop-2-enamide
SMILESC=C(CN1CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C11H20N2O/c1-9(8-13-6-5-7-13)10(14)12-11(2,3)4/h1,5-8H2,2-4H3,(H,12,14)
InChIKeyGMNLDDKPBARTFH-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.16
Rot. Bonds3

About 2-(azetidin-1-ylmethyl)-N-tert-butylprop-2-enamide

2-(azetidin-1-ylmethyl)-N-tert-butylprop-2-enamide (PubChem CID 134166394) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(azetidin-1-ylmethyl)-N-tert-butylprop-2-enamide.

Molecular Properties

Compound Name2-(azetidin-1-ylmethyl)-N-tert-butylprop-2-enamide
PubChem CID134166394
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(azetidin-1-ylmethyl)-N-tert-butylprop-2-enamide
SMILESC=C(CN1CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C11H20N2O/c1-9(8-13-6-5-7-13)10(14)12-11(2,3)4/h1,5-8H2,2-4H3,(H,12,14)
InChIKeyGMNLDDKPBARTFH-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide
CID 3097417
N-tert-butyl-2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide
CID 176757664
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-propylprop-2-enamide
CID 177013560
N-[4-(diethylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide
CID 3097418
N-[4-(dibutylamino)-2-methylbutan-2-yl]-2-methylprop-2-enamide
CID 3097419
N-ethyl-2-(methylaminomethyl)-N-propan-2-ylprop-2-enamide
CID 20215352
2-(diethylaminomethyl)-N-propylprop-2-enamide
CID 20223416
N-[1-(dimethylamino)-2-methylpropan-2-yl]-2-methylprop-2-enamide
CID 20249118
N-[3-(dimethylamino)propanoyl]-2-methylprop-2-enamide
CID 21268970
2-(methylaminomethyl)-N-propan-2-ylprop-2-enamide
CID 21999745
N-[3-(ditert-butylamino)propyl]-2-methylprop-2-enamide
CID 53828587
2-(ethylaminomethyl)-N-propan-2-ylprop-2-enamide
CID 53833625

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylmethyl)-N-tert-butylprop-2-enamide?
The IUPAC name of 2-(azetidin-1-ylmethyl)-N-tert-butylprop-2-enamide (CID 134166394) is 2-(azetidin-1-ylmethyl)-N-tert-butylprop-2-enamide.
What is the SMILES notation for 2-(azetidin-1-ylmethyl)-N-tert-butylprop-2-enamide?
The canonical SMILES for 2-(azetidin-1-ylmethyl)-N-tert-butylprop-2-enamide is C=C(CN1CCC1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-(azetidin-1-ylmethyl)-N-tert-butylprop-2-enamide?
The InChIKey is GMNLDDKPBARTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(8-13-6-5-7-13)10(14)12-11(2,3)4/h1,5-8H2,2-4H3,(H,12,14).
What are the key properties of 2-(azetidin-1-ylmethyl)-N-tert-butylprop-2-enamide?
2-(azetidin-1-ylmethyl)-N-tert-butylprop-2-enamide has a molecular weight of 196.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylmethyl)-N-tert-butylprop-2-enamide is sourced from PubChem (CID 134166394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).