N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride

C9H21ClN2O — CID 173206543

IUPACN-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride
SMILESC=CC(=O)NC(C)(C)C.CNC.Cl
InChIInChI=1S/C7H13NO.C2H7N.ClH/c1-5-6(9)8-7(2,3)4;1-3-2;/h5H,1H2,2-4H3,(H,8,9);3H,1-2H3;1H
InChIKeyNGEFTDLSTZEXFV-UHFFFAOYSA-N
MW208.73 g/mol
LogP1.34
Rot. Bonds1

About N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride

N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride (PubChem CID 173206543) has the molecular formula C9H21ClN2O and a molecular weight of 208.73 g/mol. Its IUPAC name is N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride
PubChem CID173206543
Molecular FormulaC9H21ClN2O
Molecular Weight208.73 g/mol
Exact Mass208.13
IUPAC NameN-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride
SMILESC=CC(=O)NC(C)(C)C.CNC.Cl
InChIInChI=1S/C7H13NO.C2H7N.ClH/c1-5-6(9)8-7(2,3)4;1-3-2;/h5H,1H2,2-4H3,(H,8,9);3H,1-2H3;1H
InChIKeyNGEFTDLSTZEXFV-UHFFFAOYSA-N
XLogP1.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride 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-tert-butylprop-2-enamide;sulfane
CID 158648389
N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide
CID 159233646
lithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite
CID 175485708
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 19357497
N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide
CID 130949338
2-methyl-2-(prop-2-enoylamino)propanoate
CID 19018280
N-(2-hydroxybutan-2-yl)prop-2-enamide
CID 118588252
N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
CID 21274347
methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate
CID 18920614
[2-methyl-2-(prop-2-enoylamino)propyl]boronic acid
CID 150077242
lithium 3-methyl-3-(prop-2-enoylamino)butanoate
CID 175226947

Frequently Asked Questions

What is the IUPAC name of N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride?
The IUPAC name of N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride (CID 173206543) is N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride.
What is the SMILES notation for N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride?
The canonical SMILES for N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride is C=CC(=O)NC(C)(C)C.CNC.Cl.
What is the InChIKey of N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride?
The InChIKey is NGEFTDLSTZEXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H7N.ClH/c1-5-6(9)8-7(2,3)4;1-3-2;/h5H,1H2,2-4H3,(H,8,9);3H,1-2H3;1H.
What are the key properties of N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride?
N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride has a molecular weight of 208.73 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride is sourced from PubChem (CID 173206543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).